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

data_1_a
_database_code_depnum_ccdc_archive 'CCDC 2475375'
loop_
_audit_author_name
_audit_author_address
'Manuel Fernandez'
;University Alcala
Spain
;
_audit_update_record             
;
2025-07-23 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_audit_creation_date             2021-11-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        3a
_chemical_formula_moiety         'C25 H22 O'
_chemical_formula_sum            'C25 H22 O'
_chemical_formula_weight         338.42
_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 0.0181 0.0091 '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 0.0492 0.0322 '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                   10.40380(10)
_cell_length_b                   9.61330(10)
_cell_length_c                   18.9014(3)
_cell_angle_alpha                90
_cell_angle_beta                 103.1900(10)
_cell_angle_gamma                90
_cell_volume                     1840.55(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      71.80
_cell_measurement_theta_min      5.19
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.946
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0808 before and 0.0604 after correction. The Ratio of minimum to maximum transmission is 0.9176. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            55464
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.161
_diffrn_reflns_theta_min         5.191
_diffrn_ambient_temperature      299.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2739
_reflns_number_total             3605
_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 V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.164
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.034
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0469
_refine_ls_restrained_S_all      1.111
_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)+(0.0635P)²+0.5590P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1179
_refine_ls_wR_factor_ref         0.1472
_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 Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C18(H18), C4(H4), C6(H6), C7(H7), C11(H11), C9(H9), C13(H13),
 C20(H20), C12(H12), C19(H19)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C24(H24A,H24B,H24C), C1(H1A,H1B,H1C)
;
_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 -0.10129(12) 0.69431(14) 0.04913(7) 0.0634(4) Uani 1 1 d . . . . .
C17 C 0.52246(15) 0.61231(16) 0.19650(8) 0.0420(3) Uani 1 1 d . . . . .
C16 C 0.64805(15) 0.59021(15) 0.24280(8) 0.0405(3) Uani 1 1 d . . . . .
C15 C 0.67202(15) 0.62440(15) 0.31935(8) 0.0410(3) Uani 1 1 d . . . . .
C14 C 0.80123(16) 0.61993(17) 0.36475(8) 0.0452(4) Uani 1 1 d . . . . .
C10 C 0.56473(16) 0.67004(16) 0.34785(8) 0.0446(4) Uani 1 1 d . . . . .
C5 C 0.27745(15) 0.66835(16) 0.18154(9) 0.0448(4) Uani 1 1 d . . . . .
C3 C 0.07880(17) 0.80342(18) 0.13725(10) 0.0524(4) Uani 1 1 d . . . . .
H3 H 0.032898 0.886561 0.136728 0.063 Uiso 1 1 calc R . . . .
C18 C 0.50871(17) 0.59264(18) 0.12111(9) 0.0512(4) Uani 1 1 d . . . . .
H18 H 0.428350 0.611752 0.089298 0.061 Uiso 1 1 calc R . . . .
C8 C 0.41351(15) 0.65561(16) 0.22767(8) 0.0439(4) Uani 1 1 d . . . . .
C4 C 0.20547(16) 0.79042(17) 0.17997(9) 0.0490(4) Uani 1 1 d . . . . .
H4 H 0.243282 0.865371 0.208325 0.059 Uiso 1 1 calc R . . . .
C6 C 0.21555(16) 0.55684(18) 0.14014(10) 0.0526(4) Uani 1 1 d . . . . .
H6 H 0.260557 0.473008 0.141151 0.063 Uiso 1 1 calc R . . . .
C21 C 0.75126(16) 0.53319(17) 0.21470(9) 0.0461(4) Uani 1 1 d . . . . .
C7 C 0.08954(17) 0.56803(18) 0.09786(10) 0.0537(4) Uani 1 1 d . . . . .
H7 H 0.050150 0.492175 0.070846 0.064 Uiso 1 1 calc R . . . .
C11 C 0.58672(18) 0.70359(18) 0.42223(9) 0.0524(4) Uani 1 1 d . . . . .
H11 H 0.516263 0.730491 0.441802 0.063 Uiso 1 1 calc R . . . .
C2 C 0.02101(16) 0.69273(18) 0.09550(9) 0.0485(4) Uani 1 1 d . . . . .
C9 C 0.43691(16) 0.68090(17) 0.30044(9) 0.0477(4) Uani 1 1 d . . . . .
H9 H 0.366237 0.706449 0.320155 0.057 Uiso 1 1 calc R . . . .
C23 C 0.91904(16) 0.58477(19) 0.33232(9) 0.0512(4) Uani 1 1 d . . . . .
C13 C 0.81750(18) 0.6572(2) 0.43687(9) 0.0544(4) Uani 1 1 d . . . . .
H13 H 0.901764 0.655896 0.466980 0.065 Uiso 1 1 calc R . . . .
C20 C 0.73251(17) 0.5124(2) 0.14131(9) 0.0548(4) Uani 1 1 d . . . . .
H20 H 0.800573 0.475637 0.122640 0.066 Uiso 1 1 calc R . . . .
C12 C 0.71096(19) 0.6968(2) 0.46574(9) 0.0574(5) Uani 1 1 d . . . . .
H12 H 0.724601 0.718679 0.514825 0.069 Uiso 1 1 calc R . . . .
C19 C 0.61253(18) 0.5457(2) 0.09437(9) 0.0577(5) Uani 1 1 d . . . . .
H19 H 0.602908 0.535980 0.044484 0.069 Uiso 1 1 calc R . . . .
C25 C 0.9713(2) 0.7206(2) 0.30673(13) 0.0703(6) Uani 1 1 d . . . . .
H25A H 0.903075 0.763546 0.270511 0.106 Uiso 1 1 calc GR . . . .
H25B H 1.045812 0.700644 0.286368 0.106 Uiso 1 1 calc GR . . . .
H25C H 0.997770 0.782474 0.347297 0.106 Uiso 1 1 calc GR . . . .
C22 C 0.87458(17) 0.4875(2) 0.26741(10) 0.0554(4) Uani 1 1 d . . . . .
H22A H 0.945176 0.480152 0.241811 0.066 Uiso 1 1 calc R . . . .
H22B H 0.860070 0.395623 0.285277 0.066 Uiso 1 1 calc R . . . .
C24 C 1.0294(2) 0.5114(3) 0.38704(12) 0.0798(7) Uani 1 1 d . . . . .
H24A H 1.064418 0.573303 0.426590 0.120 Uiso 1 1 calc GR . . . .
H24B H 1.098337 0.485021 0.363526 0.120 Uiso 1 1 calc GR . . . .
H24C H 0.994645 0.429839 0.405306 0.120 Uiso 1 1 calc GR . . . .
C1 C -0.1803(2) 0.8146(3) 0.04975(17) 0.0937(8) Uani 1 1 d . . . . .
H1A H -0.265390 0.800650 0.017834 0.141 Uiso 1 1 calc GR . . . .
H1B H -0.138169 0.893512 0.033629 0.141 Uiso 1 1 calc GR . . . .
H1C H -0.190821 0.830954 0.098224 0.141 Uiso 1 1 calc GR . . . .


_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 C2 1.3706(19) . ?
O1 C1 1.421(3) . ?
C17 C16 1.413(2) . ?
C17 C18 1.412(2) . ?
C17 C8 1.453(2) . ?
C16 C15 1.449(2) . ?
C16 C21 1.413(2) . ?
C15 C14 1.421(2) . ?
C15 C10 1.415(2) . ?
C14 C23 1.528(2) . ?
C14 C13 1.382(2) . ?
C10 C11 1.409(2) . ?
C10 C9 1.428(2) . ?
C5 C8 1.488(2) . ?
C5 C4 1.389(2) . ?
C5 C6 1.395(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(2) . ?
C3 C2 1.378(2) . ?
C18 H18 0.9300 . ?
C18 C19 1.369(2) . ?
C8 C9 1.363(2) . ?
C4 H4 0.9300 . ?
C6 H6 0.9300 . ?
C6 C7 1.375(2) . ?
C21 C20 1.371(2) . ?
C21 C22 1.499(2) . ?
C7 H7 0.9300 . ?
C7 C2 1.390(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.366(3) . ?
C9 H9 0.9300 . ?
C23 C25 1.534(3) . ?
C23 C22 1.528(2) . ?
C23 C24 1.531(2) . ?
C13 H13 0.9300 . ?
C13 C12 1.395(3) . ?
C20 H20 0.9300 . ?
C20 C19 1.394(2) . ?
C12 H12 0.9300 . ?
C19 H19 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?

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
C2 O1 C1 117.28(16) . . ?
C16 C17 C8 119.26(13) . . ?
C18 C17 C16 118.12(14) . . ?
C18 C17 C8 122.61(14) . . ?
C17 C16 C15 120.57(14) . . ?
C21 C16 C17 120.01(14) . . ?
C21 C16 C15 119.42(14) . . ?
C14 C15 C16 121.31(14) . . ?
C10 C15 C16 118.65(14) . . ?
C10 C15 C14 119.95(14) . . ?
C15 C14 C23 119.96(13) . . ?
C13 C14 C15 118.29(15) . . ?
C13 C14 C23 121.60(15) . . ?
C15 C10 C9 119.10(14) . . ?
C11 C10 C15 119.21(15) . . ?
C11 C10 C9 121.69(15) . . ?
C4 C5 C8 121.21(14) . . ?
C4 C5 C6 117.37(15) . . ?
C6 C5 C8 121.39(14) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.79(15) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 C17 120.65(15) . . ?
C19 C18 H18 119.7 . . ?
C17 C8 C5 120.79(13) . . ?
C9 C8 C17 118.96(14) . . ?
C9 C8 C5 120.23(14) . . ?
C5 C4 H4 119.2 . . ?
C3 C4 C5 121.69(16) . . ?
C3 C4 H4 119.2 . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.51(16) . . ?
C7 C6 H6 119.2 . . ?
C16 C21 C22 118.18(14) . . ?
C20 C21 C16 119.49(15) . . ?
C20 C21 C22 122.17(15) . . ?
C6 C7 H7 120.0 . . ?
C6 C7 C2 120.01(16) . . ?
C2 C7 H7 120.0 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.37(16) . . ?
C12 C11 H11 119.8 . . ?
O1 C2 C3 125.28(15) . . ?
O1 C2 C7 115.12(15) . . ?
C3 C2 C7 119.59(15) . . ?
C10 C9 H9 118.4 . . ?
C8 C9 C10 123.14(15) . . ?
C8 C9 H9 118.4 . . ?
C14 C23 C25 108.22(14) . . ?
C14 C23 C24 112.18(15) . . ?
C22 C23 C14 109.50(14) . . ?
C22 C23 C25 109.36(16) . . ?
C22 C23 C24 107.68(15) . . ?
C24 C23 C25 109.87(17) . . ?
C14 C13 H13 119.1 . . ?
C14 C13 C12 121.81(16) . . ?
C12 C13 H13 119.1 . . ?
C21 C20 H20 119.6 . . ?
C21 C20 C19 120.71(16) . . ?
C19 C20 H20 119.6 . . ?
C11 C12 C13 120.29(15) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C18 C19 C20 120.54(15) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C22 C23 114.27(14) . . ?
C21 C22 H22A 108.7 . . ?
C21 C22 H22B 108.7 . . ?
C23 C22 H22A 108.7 . . ?
C23 C22 H22B 108.7 . . ?
H22A C22 H22B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 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
C17 C16 C15 C14 -171.79(14) . . . . ?
C17 C16 C15 C10 4.8(2) . . . . ?
C17 C16 C21 C20 6.4(2) . . . . ?
C17 C16 C21 C22 -169.11(15) . . . . ?
C17 C18 C19 C20 2.0(3) . . . . ?
C17 C8 C9 C10 1.5(2) . . . . ?
C16 C17 C18 C19 3.7(3) . . . . ?
C16 C17 C8 C5 -174.81(14) . . . . ?
C16 C17 C8 C9 3.4(2) . . . . ?
C16 C15 C14 C23 2.7(2) . . . . ?
C16 C15 C14 C13 178.38(15) . . . . ?
C16 C15 C10 C11 179.99(14) . . . . ?
C16 C15 C10 C9 0.0(2) . . . . ?
C16 C21 C20 C19 -0.6(3) . . . . ?
C16 C21 C22 C23 -39.9(2) . . . . ?
C15 C16 C21 C20 -174.19(15) . . . . ?
C15 C16 C21 C22 10.3(2) . . . . ?
C15 C14 C23 C25 88.77(18) . . . . ?
C15 C14 C23 C22 -30.4(2) . . . . ?
C15 C14 C23 C24 -149.86(17) . . . . ?
C15 C14 C13 C12 0.8(3) . . . . ?
C15 C10 C11 C12 2.3(3) . . . . ?
C15 C10 C9 C8 -3.2(2) . . . . ?
C14 C15 C10 C11 -3.3(2) . . . . ?
C14 C15 C10 C9 176.67(14) . . . . ?
C14 C23 C22 C21 47.7(2) . . . . ?
C14 C13 C12 C11 -1.9(3) . . . . ?
C10 C15 C14 C23 -173.86(15) . . . . ?
C10 C15 C14 C13 1.8(2) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C5 C8 C9 C10 179.73(14) . . . . ?
C5 C6 C7 C2 0.2(3) . . . . ?
C18 C17 C16 C15 172.71(14) . . . . ?
C18 C17 C16 C21 -7.9(2) . . . . ?
C18 C17 C8 C5 5.9(2) . . . . ?
C18 C17 C8 C9 -175.83(15) . . . . ?
C8 C17 C16 C15 -6.6(2) . . . . ?
C8 C17 C16 C21 172.87(14) . . . . ?
C8 C17 C18 C19 -177.04(16) . . . . ?
C8 C5 C4 C3 180.00(15) . . . . ?
C8 C5 C6 C7 179.55(16) . . . . ?
C4 C5 C8 C17 -126.31(17) . . . . ?
C4 C5 C8 C9 55.5(2) . . . . ?
C4 C5 C6 C7 1.7(3) . . . . ?
C4 C3 C2 O1 -177.45(15) . . . . ?
C4 C3 C2 C7 1.3(3) . . . . ?
C6 C5 C8 C17 55.9(2) . . . . ?
C6 C5 C8 C9 -122.32(18) . . . . ?
C6 C5 C4 C3 -2.1(2) . . . . ?
C6 C7 C2 O1 177.13(16) . . . . ?
C6 C7 C2 C3 -1.8(3) . . . . ?
C21 C16 C15 C14 8.8(2) . . . . ?
C21 C16 C15 C10 -174.59(14) . . . . ?
C21 C20 C19 C18 -3.6(3) . . . . ?
C11 C10 C9 C8 176.80(16) . . . . ?
C2 C3 C4 C5 0.7(3) . . . . ?
C9 C10 C11 C12 -177.72(16) . . . . ?
C23 C14 C13 C12 176.41(16) . . . . ?
C13 C14 C23 C25 -86.7(2) . . . . ?
C13 C14 C23 C22 154.13(16) . . . . ?
C13 C14 C23 C24 34.6(2) . . . . ?
C20 C21 C22 C23 144.76(17) . . . . ?
C25 C23 C22 C21 -70.7(2) . . . . ?
C22 C21 C20 C19 174.72(17) . . . . ?
C24 C23 C22 C21 169.91(16) . . . . ?
C1 O1 C2 C3 -6.9(3) . . . . ?
C1 O1 C2 C7 174.25(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
