# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_raf_dg_bar_autored
_database_code_depnum_ccdc_archive 'CCDC 2391364'
loop_
_audit_author_name
_audit_author_address
'GOPAL DESHMUKH'
;IIT BOMBAY
India
;
_audit_update_record             
;
2024-10-16 deposited with the CCDC.	2025-08-15 downloaded from the CCDC.
;
_audit_creation_date             2024-10-16
_audit_creation_method           
;
Olex2 1.5-ac6-016
(compiled 2024.01.13 svn.r2f8d729c for Rigaku Oxford Diffraction, GUI svn.r6897)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H22 O4'
_chemical_formula_sum            'C17 H22 O4'
_chemical_formula_weight         290.34
_chemical_absolute_configuration unk
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   5.9109(2)
_cell_length_b                   15.2939(7)
_cell_length_c                   17.2390(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1558.42(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1373
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      21.0840
_cell_measurement_theta_min      1.7740
_shelx_estimated_absorpt_T_max   0.987
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light colourless'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1679
_diffrn_reflns_av_unetI/netI     0.1231
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12043
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.780
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -127.56  18.44   1.00    1.00    --  -22.85 -59.25  20.08  146
  2  ω   -127.56  18.44   1.00    1.00    --  -22.85 -59.25  71.08  146
  3  φ    -38.01 105.99   1.00    1.00  26.42 -22.85 -31.50    --   144
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0133031000
_diffrn_orient_matrix_UB_12      -0.0088197000
_diffrn_orient_matrix_UB_13      0.0401337000
_diffrn_orient_matrix_UB_21      -0.0092838000
_diffrn_orient_matrix_UB_22      -0.0454578000
_diffrn_orient_matrix_UB_23      -0.0075168000
_diffrn_orient_matrix_UB_31      0.1188970000
_diffrn_orient_matrix_UB_32      -0.0025395000
_diffrn_orient_matrix_UB_33      -0.0050904000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.702
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                1807
_reflns_number_total             2738
_reflns_odcompleteness_completeness 92.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     32.24
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.5-ac6-016 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-ac6-016 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.248
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 
;
 Flack x determined using 511 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.4(10)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         2738
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1150
_refine_ls_R_factor_gt           0.0678
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0600P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.1791
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C13(H13), C1(H1), C9(H9)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C11(H11)
2.d X=CH2 refined with riding coordinates:
 C5(H5A,H5B), C17(H17A,H17B)
2.e Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C8(H8A,H8B,H8C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.3386(6) 0.5207(2) 0.4028(2) 0.0303(10) Uani 1 1 d . . . . .
O3 O 0.8302(7) 0.6380(3) 0.2633(2) 0.0314(10) Uani 1 1 d . . . . .
O2 O 0.1901(7) 0.5916(3) 0.5038(2) 0.0405(12) Uani 1 1 d . . . . .
O4 O 1.1647(7) 0.6895(3) 0.3071(3) 0.0466(12) Uani 1 1 d . . . . .
C4 C 0.3491(10) 0.5797(4) 0.4624(3) 0.0288(14) Uani 1 1 d . . . . .
C6 C 0.7230(9) 0.6678(4) 0.3346(3) 0.0276(14) Uani 1 1 d . . . . .
H6A H 0.571011 0.691562 0.322801 0.033 Uiso 1 1 calc R U . . .
H6B H 0.814548 0.715112 0.358114 0.033 Uiso 1 1 calc R U . . .
C15 C 0.4159(9) 0.3851(4) 0.2416(3) 0.0273(14) Uani 1 1 d . . . . .
C2 C 0.7021(9) 0.5914(3) 0.3916(3) 0.0222(13) Uani 1 1 d . . . . .
H2 H 0.854827 0.568501 0.406168 0.027 Uiso 1 1 calc R U . . .
C13 C 0.5183(9) 0.3546(4) 0.3163(3) 0.0287(14) Uani 1 1 d . . . . .
H13 H 0.630360 0.308454 0.301872 0.034 Uiso 1 1 calc R U . . .
C5 C 0.6425(11) 0.6748(4) 0.5184(3) 0.0312(14) Uani 1 1 d . . . . .
H5A H 0.544833 0.687183 0.560778 0.037 Uiso 1 1 calc R U . . .
H5B H 0.788745 0.700407 0.516297 0.037 Uiso 1 1 calc R U . . .
C10 C 0.6591(10) 0.3858(4) 0.4438(3) 0.0300(14) Uani 1 1 d . . . . .
C3 C 0.5750(9) 0.6218(4) 0.4625(4) 0.0267(14) Uani 1 1 d . . . . .
C1 C 0.5505(9) 0.5171(3) 0.3594(4) 0.0245(13) Uani 1 1 d . . . . .
H1 H 0.516593 0.530302 0.303782 0.029 Uiso 1 1 calc R U . . .
C17 C 0.1953(10) 0.3834(4) 0.2273(4) 0.0374(16) Uani 1 1 d . . . . .
H17A H 0.139907 0.400087 0.177778 0.045 Uiso 1 1 calc R U . . .
H17B H 0.092746 0.365414 0.266676 0.045 Uiso 1 1 calc R U . . .
C7 C 1.0563(10) 0.6549(4) 0.2575(4) 0.0337(16) Uani 1 1 d . . . . .
C9 C 0.6550(10) 0.4253(3) 0.3637(3) 0.0254(13) Uani 1 1 d . . . . .
H9 H 0.813188 0.427789 0.343248 0.031 Uiso 1 1 calc R U . . .
C14 C 0.8222(11) 0.4156(4) 0.5055(3) 0.0358(15) Uani 1 1 d . . . . .
H14A H 0.976066 0.416084 0.484344 0.054 Uiso 1 1 calc R U . . .
H14B H 0.815271 0.375416 0.549739 0.054 Uiso 1 1 calc R U . . .
H14C H 0.781317 0.474615 0.522587 0.054 Uiso 1 1 calc R U . . .
C11 C 0.5031(10) 0.3247(4) 0.4512(4) 0.0393(17) Uani 1 1 d . . . . .
H11 H 0.480748 0.291654 0.497212 0.047 Uiso 1 1 calc R U . . .
C12 C 0.3641(11) 0.3130(4) 0.3785(3) 0.0373(16) Uani 1 1 d . . . . .
H12A H 0.217568 0.344101 0.382293 0.045 Uiso 1 1 calc R U . . .
H12B H 0.335952 0.250444 0.367486 0.045 Uiso 1 1 calc R U . . .
C16 C 0.5805(10) 0.4130(5) 0.1812(4) 0.0442(18) Uani 1 1 d . . . . .
H16A H 0.669619 0.462388 0.200544 0.066 Uiso 1 1 calc R U . . .
H16B H 0.498545 0.430702 0.134310 0.066 Uiso 1 1 calc R U . . .
H16C H 0.681681 0.364164 0.168809 0.066 Uiso 1 1 calc R U . . .
C8 C 1.1457(12) 0.6229(4) 0.1814(4) 0.0470(18) Uani 1 1 d . . . . .
H8A H 1.083083 0.564904 0.170386 0.070 Uiso 1 1 calc R U . . .
H8B H 1.311045 0.619274 0.183865 0.070 Uiso 1 1 calc R U . . .
H8C H 1.101430 0.663609 0.140218 0.070 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C4 1.368(7) . ?
O1 C1 1.460(6) . ?
O3 C6 1.455(7) . ?
O3 C7 1.365(7) . ?
O2 C4 1.195(7) . ?
O4 C7 1.192(7) . ?
C4 C3 1.483(8) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C2 1.533(7) . ?
C15 C13 1.498(8) . ?
C15 C17 1.327(8) . ?
C15 C16 1.488(8) . ?
C2 H2 1.0000 . ?
C2 C3 1.508(8) . ?
C2 C1 1.550(7) . ?
C13 H13 1.0000 . ?
C13 C9 1.577(7) . ?
C13 C12 1.544(8) . ?
C5 H5A 0.9500 . ?
C5 H5B 0.9500 . ?
C5 C3 1.321(8) . ?
C10 C9 1.507(8) . ?
C10 C14 1.506(8) . ?
C10 C11 1.319(8) . ?
C1 H1 1.0000 . ?
C1 C9 1.536(7) . ?
C17 H17A 0.9500 . ?
C17 H17B 0.9500 . ?
C7 C8 1.496(9) . ?
C9 H9 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C11 H11 0.9500 . ?
C11 C12 1.509(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4 O1 C1 111.8(4) . . ?
C7 O3 C6 115.4(5) . . ?
O1 C4 C3 109.2(5) . . ?
O2 C4 O1 120.9(5) . . ?
O2 C4 C3 129.9(5) . . ?
O3 C6 H6A 109.7 . . ?
O3 C6 H6B 109.7 . . ?
O3 C6 C2 109.7(4) . . ?
H6A C6 H6B 108.2 . . ?
C2 C6 H6A 109.7 . . ?
C2 C6 H6B 109.7 . . ?
C17 C15 C13 123.4(6) . . ?
C17 C15 C16 121.2(6) . . ?
C16 C15 C13 115.3(5) . . ?
C6 C2 H2 110.8 . . ?
C6 C2 C1 112.0(5) . . ?
C3 C2 C6 109.0(4) . . ?
C3 C2 H2 110.8 . . ?
C3 C2 C1 103.2(4) . . ?
C1 C2 H2 110.8 . . ?
C15 C13 H13 105.9 . . ?
C15 C13 C9 116.0(5) . . ?
C15 C13 C12 119.1(5) . . ?
C9 C13 H13 105.9 . . ?
C12 C13 H13 105.9 . . ?
C12 C13 C9 103.0(4) . . ?
H5A C5 H5B 120.0 . . ?
C3 C5 H5A 120.0 . . ?
C3 C5 H5B 120.0 . . ?
C14 C10 C9 122.4(5) . . ?
C11 C10 C9 111.2(5) . . ?
C11 C10 C14 126.4(6) . . ?
C4 C3 C2 108.3(5) . . ?
C5 C3 C4 122.7(6) . . ?
C5 C3 C2 129.0(5) . . ?
O1 C1 C2 106.5(4) . . ?
O1 C1 H1 108.2 . . ?
O1 C1 C9 110.8(4) . . ?
C2 C1 H1 108.2 . . ?
C9 C1 C2 114.9(4) . . ?
C9 C1 H1 108.2 . . ?
C15 C17 H17A 120.0 . . ?
C15 C17 H17B 120.0 . . ?
H17A C17 H17B 120.0 . . ?
O3 C7 C8 110.4(6) . . ?
O4 C7 O3 123.9(6) . . ?
O4 C7 C8 125.7(6) . . ?
C13 C9 H9 108.9 . . ?
C10 C9 C13 102.0(4) . . ?
C10 C9 C1 114.7(5) . . ?
C10 C9 H9 108.9 . . ?
C1 C9 C13 113.3(5) . . ?
C1 C9 H9 108.9 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C11 H11 123.7 . . ?
C10 C11 C12 112.6(6) . . ?
C12 C11 H11 123.7 . . ?
C13 C12 H12A 111.4 . . ?
C13 C12 H12B 111.4 . . ?
C11 C12 C13 101.9(5) . . ?
C11 C12 H12A 111.4 . . ?
C11 C12 H12B 111.4 . . ?
H12A C12 H12B 109.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C4 C3 C2 6.1(6) . . . . ?
O1 C4 C3 C5 -172.6(5) . . . . ?
O1 C1 C9 C13 70.4(6) . . . . ?
O1 C1 C9 C10 -46.2(6) . . . . ?
O3 C6 C2 C3 -175.7(4) . . . . ?
O3 C6 C2 C1 -62.1(6) . . . . ?
O2 C4 C3 C2 -172.7(6) . . . . ?
O2 C4 C3 C5 8.7(10) . . . . ?
C4 O1 C1 C2 -6.9(6) . . . . ?
C4 O1 C1 C9 118.7(5) . . . . ?
C6 O3 C7 O4 2.0(8) . . . . ?
C6 O3 C7 C8 -178.8(5) . . . . ?
C6 C2 C3 C4 109.6(5) . . . . ?
C6 C2 C3 C5 -71.9(7) . . . . ?
C6 C2 C1 O1 -107.2(5) . . . . ?
C6 C2 C1 C9 129.8(5) . . . . ?
C15 C13 C9 C10 160.4(5) . . . . ?
C15 C13 C9 C1 36.6(7) . . . . ?
C15 C13 C12 C11 -158.8(5) . . . . ?
C2 C1 C9 C13 -168.9(5) . . . . ?
C2 C1 C9 C10 74.6(6) . . . . ?
C10 C11 C12 C13 19.6(7) . . . . ?
C3 C2 C1 O1 9.9(5) . . . . ?
C3 C2 C1 C9 -113.1(5) . . . . ?
C1 O1 C4 O2 179.5(5) . . . . ?
C1 O1 C4 C3 0.6(6) . . . . ?
C1 C2 C3 C4 -9.7(6) . . . . ?
C1 C2 C3 C5 168.9(6) . . . . ?
C17 C15 C13 C9 -119.7(7) . . . . ?
C17 C15 C13 C12 4.3(9) . . . . ?
C7 O3 C6 C2 -98.6(5) . . . . ?
C9 C13 C12 C11 -28.7(6) . . . . ?
C9 C10 C11 C12 -1.0(8) . . . . ?
C14 C10 C9 C13 163.0(5) . . . . ?
C14 C10 C9 C1 -74.2(7) . . . . ?
C14 C10 C11 C12 178.3(6) . . . . ?
C11 C10 C9 C13 -17.7(6) . . . . ?
C11 C10 C9 C1 105.1(6) . . . . ?
C12 C13 C9 C10 28.4(5) . . . . ?
C12 C13 C9 C1 -95.4(5) . . . . ?
C16 C15 C13 C9 64.0(7) . . . . ?
C16 C15 C13 C12 -172.0(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
