# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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#######################################################################

data_mo_gs_dss_ps_p2_80_1_0ma
_database_code_depnum_ccdc_archive 'CCDC 2253565'
loop_
_audit_author_name
_audit_author_address
'Mr Punith S'
;IIT Hyderabad
India
;
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-06-27 downloaded from the CCDC.
;
_audit_creation_date             2023-02-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H22 O2'
_chemical_formula_sum            'C28 H22 O2'
_chemical_formula_weight         390.45
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.0954(16)
_cell_length_b                   15.084(2)
_cell_length_c                   13.5172(18)
_cell_angle_alpha                90
_cell_angle_beta                 93.646(5)
_cell_angle_gamma                90
_cell_volume                     2054.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4566
_cell_measurement_temperature    299.00
_cell_measurement_theta_max      21.21
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   0.998
_shelx_estimated_absorpt_T_min   0.996
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1296 before and 0.0694 after correction.
The Ratio of minimum to maximum transmission is 0.8680.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.056
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.032
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1255
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            51649
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.226
_diffrn_reflns_theta_min         2.025
_diffrn_ambient_temperature      299.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2424
_reflns_number_total             4569
_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       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.146
_refine_diff_density_min         -0.158
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       0.0082(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4569
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1264
_refine_ls_R_factor_gt           0.0507
_refine_ls_restrained_S_all      1.025
_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)+(0.0436P)²+0.3119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1021
_refine_ls_wR_factor_ref         0.1261
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B)
2.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C10(H10), C11(H11), C12(H12), C13(H13), C14(H14),
 C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C24(H24), C25(H25),
  C26(H26), C27(H27), C28(H28)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.84055(15) 0.51262(10) 0.23295(10) 0.0656(4) Uani 1 1 d . . . . .
O2 O 0.64073(12) 0.76222(8) 0.39482(9) 0.0477(4) Uani 1 1 d . . . . .
C1 C 0.7215(4) 0.5215(2) -0.12977(19) 0.0915(10) Uani 1 1 d . . . . .
H1 H 0.716325 0.515433 -0.198380 0.110 Uiso 1 1 calc R U . . .
C2 C 0.8189(3) 0.47862(19) -0.0743(2) 0.0884(9) Uani 1 1 d . . . . .
H2 H 0.879952 0.443539 -0.105013 0.106 Uiso 1 1 calc R U . . .
C3 C 0.8272(3) 0.48728(15) 0.02810(17) 0.0702(7) Uani 1 1 d . . . . .
H3 H 0.892959 0.457209 0.065915 0.084 Uiso 1 1 calc R U . . .
C4 C 0.7384(2) 0.54018(13) 0.07395(14) 0.0496(5) Uani 1 1 d . . . . .
C5 C 0.7513(2) 0.54945(13) 0.18430(14) 0.0472(5) Uani 1 1 d . . . . .
C6 C 0.64786(19) 0.60270(13) 0.23285(13) 0.0475(5) Uani 1 1 d . . . . .
H6A H 0.561977 0.575783 0.216533 0.057 Uiso 1 1 calc R U . . .
H6B H 0.645965 0.661698 0.204245 0.057 Uiso 1 1 calc R U . . .
C7 C 0.66612(18) 0.61178(12) 0.34572(13) 0.0434(5) Uani 1 1 d . . . . .
H7 H 0.706798 0.557994 0.374759 0.052 Uiso 1 1 calc R U . . .
C8 C 0.74455(18) 0.69577(12) 0.38441(13) 0.0412(5) Uani 1 1 d . . . . .
C9 C 0.84144(18) 0.73457(13) 0.31449(13) 0.0426(5) Uani 1 1 d . . . . .
C10 C 0.8106(2) 0.80950(14) 0.25885(15) 0.0554(6) Uani 1 1 d . . . . .
H10 H 0.729171 0.837304 0.264190 0.066 Uiso 1 1 calc R U . . .
C11 C 0.9000(2) 0.84348(16) 0.19526(16) 0.0657(6) Uani 1 1 d . . . . .
H11 H 0.877936 0.893808 0.158040 0.079 Uiso 1 1 calc R U . . .
C12 C 1.0206(2) 0.80384(17) 0.18657(15) 0.0640(6) Uani 1 1 d . . . . .
H12 H 1.080187 0.827009 0.143669 0.077 Uiso 1 1 calc R U . . .
C13 C 0.6311(3) 0.5733(2) -0.08555(18) 0.0835(8) Uani 1 1 d . . . . .
H13 H 0.564440 0.602117 -0.123829 0.100 Uiso 1 1 calc R U . . .
C14 C 0.6393(2) 0.58246(16) 0.01590(15) 0.0638(6) Uani 1 1 d . . . . .
H14 H 0.577557 0.617494 0.045968 0.077 Uiso 1 1 calc R U . . .
C15 C 0.53378(19) 0.62852(13) 0.38799(13) 0.0450(5) Uani 1 1 d . . . . .
C16 C 0.4238(2) 0.57504(15) 0.39767(15) 0.0595(6) Uani 1 1 d . . . . .
H16 H 0.427026 0.514754 0.383582 0.071 Uiso 1 1 calc R U . . .
C17 C 0.3089(2) 0.61342(18) 0.42884(17) 0.0684(7) Uani 1 1 d . . . . .
H17 H 0.234352 0.578308 0.435950 0.082 Uiso 1 1 calc R U . . .
C18 C 0.3032(2) 0.70225(18) 0.44934(16) 0.0669(7) Uani 1 1 d . . . . .
H18 H 0.224497 0.726472 0.469263 0.080 Uiso 1 1 calc R U . . .
C19 C 0.4120(2) 0.75647(15) 0.44101(14) 0.0552(6) Uani 1 1 d . . . . .
H19 H 0.408879 0.816696 0.455386 0.066 Uiso 1 1 calc R U . . .
C20 C 0.52514(19) 0.71713(13) 0.41044(13) 0.0433(5) Uani 1 1 d . . . . .
C21 C 0.9646(2) 0.69584(14) 0.30566(15) 0.0559(6) Uani 1 1 d . . . . .
H21 H 0.988279 0.646158 0.343495 0.067 Uiso 1 1 calc R U . . .
C22 C 1.0527(2) 0.73009(16) 0.24128(17) 0.0644(6) Uani 1 1 d . . . . .
H22 H 1.134287 0.702656 0.235289 0.077 Uiso 1 1 calc R U . . .
C23 C 0.81218(17) 0.68086(12) 0.48810(13) 0.0406(5) Uani 1 1 d . . . . .
C24 C 0.8706(2) 0.60196(14) 0.51761(15) 0.0614(6) Uani 1 1 d . . . . .
H24 H 0.868640 0.554343 0.473841 0.074 Uiso 1 1 calc R U . . .
C25 C 0.9326(2) 0.59230(17) 0.61175(17) 0.0730(7) Uani 1 1 d . . . . .
H25 H 0.971777 0.538462 0.630136 0.088 Uiso 1 1 calc R U . . .
C26 C 0.9366(2) 0.66070(19) 0.67712(16) 0.0687(7) Uani 1 1 d . . . . .
H26 H 0.976367 0.653736 0.740603 0.082 Uiso 1 1 calc R U . . .
C27 C 0.8813(2) 0.73976(18) 0.64827(16) 0.0637(6) Uani 1 1 d . . . . .
H27 H 0.884275 0.787199 0.692300 0.076 Uiso 1 1 calc R U . . .
C28 C 0.82091(19) 0.75024(15) 0.55437(14) 0.0536(5) Uani 1 1 d . . . . .
H28 H 0.785551 0.805104 0.535619 0.064 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 C5 1.215(2) . ?
O2 C8 1.463(2) . ?
O2 C20 1.378(2) . ?
C1 H1 0.9300 . ?
C1 C2 1.362(4) . ?
C1 C13 1.368(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.387(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.376(3) . ?
C4 C5 1.496(3) . ?
C4 C14 1.387(3) . ?
C5 C6 1.501(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.531(2) . ?
C7 H7 0.9800 . ?
C7 C8 1.566(3) . ?
C7 C15 1.507(3) . ?
C8 C9 1.520(3) . ?
C8 C23 1.536(2) . ?
C9 C10 1.382(3) . ?
C9 C21 1.385(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.384(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.368(3) . ?
C12 H12 0.9300 . ?
C12 C22 1.363(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.376(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.385(3) . ?
C15 C20 1.375(3) . ?
C16 H16 0.9300 . ?
C16 C17 1.386(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.370(3) . ?
C18 H18 0.9300 . ?
C18 C19 1.379(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.374(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.384(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(3) . ?
C23 C28 1.377(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.389(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.357(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.363(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.382(3) . ?
C28 H28 0.9300 . ?

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
C20 O2 C8 107.17(14) . . ?
C2 C1 H1 119.7 . . ?
C2 C1 C13 120.6(2) . . ?
C13 C1 H1 119.7 . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0(3) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C5 119.03(19) . . ?
C3 C4 C14 118.6(2) . . ?
C14 C4 C5 122.36(19) . . ?
O1 C5 C4 120.76(19) . . ?
O1 C5 C6 121.36(17) . . ?
C4 C5 C6 117.84(17) . . ?
C5 C6 H6A 108.3 . . ?
C5 C6 H6B 108.3 . . ?
C5 C6 C7 116.13(15) . . ?
H6A C6 H6B 107.4 . . ?
C7 C6 H6A 108.3 . . ?
C7 C6 H6B 108.3 . . ?
C6 C7 H7 110.2 . . ?
C6 C7 C8 115.55(16) . . ?
C8 C7 H7 110.2 . . ?
C15 C7 C6 109.83(14) . . ?
C15 C7 H7 110.2 . . ?
C15 C7 C8 100.33(14) . . ?
O2 C8 C7 103.66(14) . . ?
O2 C8 C9 106.81(14) . . ?
O2 C8 C23 106.98(14) . . ?
C9 C8 C7 115.82(15) . . ?
C9 C8 C23 110.95(14) . . ?
C23 C8 C7 111.85(15) . . ?
C10 C9 C8 121.46(17) . . ?
C10 C9 C21 118.04(18) . . ?
C21 C9 C8 120.50(17) . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.5(2) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.7(2) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.3 . . ?
C22 C12 C11 119.5(2) . . ?
C22 C12 H12 120.3 . . ?
C1 C13 H13 120.2 . . ?
C1 C13 C14 119.6(3) . . ?
C14 C13 H13 120.2 . . ?
C4 C14 H14 119.6 . . ?
C13 C14 C4 120.9(2) . . ?
C13 C14 H14 119.6 . . ?
C16 C15 C7 132.31(19) . . ?
C20 C15 C7 108.46(17) . . ?
C20 C15 C16 118.89(19) . . ?
C15 C16 H16 120.8 . . ?
C15 C16 C17 118.5(2) . . ?
C17 C16 H16 120.8 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.1(2) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 119.3 . . ?
C17 C18 C19 121.3(2) . . ?
C19 C18 H18 119.3 . . ?
C18 C19 H19 121.6 . . ?
C20 C19 C18 116.7(2) . . ?
C20 C19 H19 121.6 . . ?
C15 C20 O2 112.32(17) . . ?
C19 C20 O2 124.13(18) . . ?
C19 C20 C15 123.49(19) . . ?
C9 C21 H21 119.6 . . ?
C22 C21 C9 120.9(2) . . ?
C22 C21 H21 119.6 . . ?
C12 C22 C21 120.4(2) . . ?
C12 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C8 123.28(17) . . ?
C24 C23 C28 117.40(17) . . ?
C28 C23 C8 119.26(17) . . ?
C23 C24 H24 119.5 . . ?
C23 C24 C25 121.1(2) . . ?
C25 C24 H24 119.5 . . ?
C24 C25 H25 119.7 . . ?
C26 C25 C24 120.6(2) . . ?
C26 C25 H25 119.7 . . ?
C25 C26 H26 120.5 . . ?
C25 C26 C27 119.0(2) . . ?
C27 C26 H26 120.5 . . ?
C26 C27 H27 119.6 . . ?
C26 C27 C28 120.8(2) . . ?
C28 C27 H27 119.6 . . ?
C23 C28 C27 121.1(2) . . ?
C23 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?

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 C5 C6 C7 3.2(3) . . . . ?
O2 C8 C9 C10 -12.7(2) . . . . ?
O2 C8 C9 C21 166.58(16) . . . . ?
O2 C8 C23 C24 151.21(18) . . . . ?
O2 C8 C23 C28 -31.8(2) . . . . ?
C1 C2 C3 C4 -1.0(4) . . . . ?
C1 C13 C14 C4 0.3(4) . . . . ?
C2 C1 C13 C14 0.3(4) . . . . ?
C2 C3 C4 C5 -178.9(2) . . . . ?
C2 C3 C4 C14 1.6(3) . . . . ?
C3 C4 C5 O1 1.7(3) . . . . ?
C3 C4 C5 C6 -176.06(19) . . . . ?
C3 C4 C14 C13 -1.2(3) . . . . ?
C4 C5 C6 C7 -179.03(16) . . . . ?
C5 C4 C14 C13 179.3(2) . . . . ?
C5 C6 C7 C8 92.7(2) . . . . ?
C5 C6 C7 C15 -154.76(17) . . . . ?
C6 C7 C8 O2 90.89(17) . . . . ?
C6 C7 C8 C9 -25.7(2) . . . . ?
C6 C7 C8 C23 -154.19(15) . . . . ?
C6 C7 C15 C16 70.5(3) . . . . ?
C6 C7 C15 C20 -102.56(17) . . . . ?
C7 C8 C9 C10 102.1(2) . . . . ?
C7 C8 C9 C21 -78.6(2) . . . . ?
C7 C8 C23 C24 38.3(2) . . . . ?
C7 C8 C23 C28 -144.64(17) . . . . ?
C7 C15 C16 C17 -171.85(19) . . . . ?
C7 C15 C20 O2 -4.3(2) . . . . ?
C7 C15 C20 C19 173.21(16) . . . . ?
C8 O2 C20 C15 -14.64(19) . . . . ?
C8 O2 C20 C19 167.89(17) . . . . ?
C8 C7 C15 C16 -167.4(2) . . . . ?
C8 C7 C15 C20 19.56(18) . . . . ?
C8 C9 C10 C11 -179.68(18) . . . . ?
C8 C9 C21 C22 179.20(18) . . . . ?
C8 C23 C24 C25 178.87(19) . . . . ?
C8 C23 C28 C27 -179.79(17) . . . . ?
C9 C8 C23 C24 -92.6(2) . . . . ?
C9 C8 C23 C28 84.4(2) . . . . ?
C9 C10 C11 C12 -0.3(3) . . . . ?
C9 C21 C22 C12 1.2(3) . . . . ?
C10 C9 C21 C22 -1.5(3) . . . . ?
C10 C11 C12 C22 0.0(3) . . . . ?
C11 C12 C22 C21 -0.4(3) . . . . ?
C13 C1 C2 C3 0.0(4) . . . . ?
C14 C4 C5 O1 -178.85(19) . . . . ?
C14 C4 C5 C6 3.4(3) . . . . ?
C15 C7 C8 O2 -27.10(16) . . . . ?
C15 C7 C8 C9 -143.73(15) . . . . ?
C15 C7 C8 C23 87.81(16) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C16 C15 C20 O2 -178.40(16) . . . . ?
C16 C15 C20 C19 -0.9(3) . . . . ?
C16 C17 C18 C19 -0.9(3) . . . . ?
C17 C18 C19 C20 0.6(3) . . . . ?
C18 C19 C20 O2 177.53(17) . . . . ?
C18 C19 C20 C15 0.3(3) . . . . ?
C20 O2 C8 C7 26.25(17) . . . . ?
C20 O2 C8 C9 149.05(14) . . . . ?
C20 O2 C8 C23 -92.09(16) . . . . ?
C20 C15 C16 C17 0.6(3) . . . . ?
C21 C9 C10 C11 1.0(3) . . . . ?
C23 C8 C9 C10 -129.00(18) . . . . ?
C23 C8 C9 C21 50.3(2) . . . . ?
C23 C24 C25 C26 0.2(4) . . . . ?
C24 C23 C28 C27 -2.6(3) . . . . ?
C24 C25 C26 C27 -1.4(4) . . . . ?
C25 C26 C27 C28 0.6(4) . . . . ?
C26 C27 C28 C23 1.4(3) . . . . ?
C28 C23 C24 C25 1.8(3) . . . . ?

_olex2_exptl_crystal_mounting_method 'Nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
