# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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 
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data_msb_sss_om_1_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2330701'
loop_
_audit_author_name
_audit_author_address
'Sonu Sheokand'
;IIT Bombay
India
;
_audit_update_record             
;
2024-02-03 deposited with the CCDC.	2024-07-01 downloaded from the CCDC.
;
_audit_creation_date             2023-11-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C25 H18 O)'
_chemical_formula_sum            'C50 H36 O2'
_chemical_formula_weight         668.79
_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                   17.155(4)
_cell_length_b                   10.5253(19)
_cell_length_c                   19.426(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.508(7)
_cell_angle_gamma                90
_cell_volume                     3506.4(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9967
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.995
_shelx_estimated_absorpt_T_min   0.993
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4419
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1532 before and 0.0995 after correction.
The Ratio of minimum to maximum transmission is 0.5926.
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    1.267
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.069
_exptl_crystal_size_min          0.065
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1431
_diffrn_reflns_av_unetI/netI     0.1515
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            19774
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.993
_diffrn_reflns_theta_max         24.993
_diffrn_reflns_theta_min         2.097
_diffrn_ambient_temperature      160.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3466
_reflns_number_total             6129
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.276
_refine_diff_density_min         -0.285
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6129
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1381
_refine_ls_R_factor_gt           0.0683
_refine_ls_restrained_S_all      0.976
_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)+(0.0853P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1619
_refine_ls_wR_factor_ref         0.2064
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C3(H3), C2'(H2'), C3'(H3')
2.b Aromatic/amide H refined with riding coordinates:
 C17(H17), C18(H18), C19(H19), C13(H13), C12(H12), C11(H11), C10(H10), C7(H7),
 C6(H6), C25(H25), C24(H24), C23(H23), C22(H22), C21(H21), C15(H15), C16(H16),
 C17'(H17'), C18'(H18'), C19'(H19'), C13'(H13'), C12'(H12'), C25'(H25'),
 C24'(H24'), C23'(H23'), C22'(H22'), C21'(H21'), C7'(H7'), C6'(H6'), C11'(H11'),
  C10'(H10'), C15'(H15'), C16'(H16')
;
_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 0.30992(15) -0.3760(3) 0.10374(13) 0.0529(7) Uani 1 1 d . . . . .
O1' O 0.60120(16) 0.3170(3) 0.25071(13) 0.0567(8) Uani 1 1 d . . . . .
C17 C 0.0284(2) -0.1691(3) 0.08640(18) 0.0421(9) Uani 1 1 d . . . . .
H17 H -0.0261 -0.1709 0.0765 0.051 Uiso 1 1 calc R U . . .
C18 C 0.0788(2) -0.1237(4) 0.03832(18) 0.0492(10) Uani 1 1 d . . . . .
H18 H 0.0589 -0.0935 -0.0047 0.059 Uiso 1 1 calc R U . . .
C19 C 0.1587(2) -0.1214(3) 0.05223(16) 0.0415(9) Uani 1 1 d . . . . .
H19 H 0.1929 -0.0906 0.0184 0.050 Uiso 1 1 calc R U . . .
C14 C 0.18904(18) -0.1637(3) 0.11496(15) 0.0291(8) Uani 1 1 d . . . . .
C2 C 0.27533(18) -0.1569(3) 0.13178(16) 0.0314(8) Uani 1 1 d . . . . .
H2 H 0.3016 -0.1162 0.0921 0.038 Uiso 1 1 calc R U . . .
C3 C 0.29632(18) -0.0790(3) 0.19795(15) 0.0285(7) Uani 1 1 d . . . . .
H3 H 0.2468 -0.0538 0.2202 0.034 Uiso 1 1 calc R U . . .
C4 C 0.33871(17) -0.1724(3) 0.24445(15) 0.0281(8) Uani 1 1 d . . . . .
C9 C 0.36220(18) -0.1527(3) 0.31462(15) 0.0294(8) Uani 1 1 d . . . . .
C8 C 0.39852(19) -0.2575(3) 0.35026(17) 0.0337(8) Uani 1 1 d . . . . .
C13 C 0.4164(2) -0.2423(4) 0.42088(19) 0.0448(10) Uani 1 1 d . . . . .
H13 H 0.4399 -0.3107 0.4457 0.054 Uiso 1 1 calc R U . . .
C12 C 0.4010(2) -0.1325(4) 0.45443(19) 0.0518(11) Uani 1 1 d . . . . .
H12 H 0.4135 -0.1251 0.5022 0.062 Uiso 1 1 calc R U . . .
C1 C 0.31225(19) -0.2876(3) 0.14418(17) 0.0343(8) Uani 1 1 d . . . . .
C5 C 0.34882(18) -0.2879(3) 0.21344(16) 0.0311(8) Uani 1 1 d . . . . .
C11 C 0.3668(2) -0.0305(4) 0.41908(18) 0.0461(10) Uani 1 1 d . . . . .
H11 H 0.3562 0.0462 0.4428 0.055 Uiso 1 1 calc R U . . .
C10 C 0.34854(19) -0.0406(3) 0.35051(16) 0.0349(8) Uani 1 1 d . . . . .
H10 H 0.3261 0.0300 0.3268 0.042 Uiso 1 1 calc R U . . .
C7 C 0.41143(19) -0.3738(3) 0.31489(18) 0.0382(9) Uani 1 1 d . . . . .
H7 H 0.4378 -0.4412 0.3382 0.046 Uiso 1 1 calc R U . . .
C6 C 0.38676(19) -0.3904(3) 0.24817(18) 0.0374(9) Uani 1 1 d . . . . .
H6 H 0.3948 -0.4689 0.2254 0.045 Uiso 1 1 calc R U . . .
C20 C 0.34159(18) 0.0413(3) 0.18121(15) 0.0278(7) Uani 1 1 d . . . . .
C25 C 0.42248(18) 0.0488(3) 0.18750(17) 0.0364(8) Uani 1 1 d . . . . .
H25 H 0.4515 -0.0225 0.2038 0.044 Uiso 1 1 calc R U . . .
C24 C 0.4608(2) 0.1589(4) 0.17029(18) 0.0428(9) Uani 1 1 d . . . . .
H24 H 0.5160 0.1630 0.1752 0.051 Uiso 1 1 calc R U . . .
C23 C 0.4200(2) 0.2629(3) 0.14605(17) 0.0424(9) Uani 1 1 d . . . . .
H23 H 0.4469 0.3384 0.1342 0.051 Uiso 1 1 calc R U . . .
C22 C 0.3394(2) 0.2568(3) 0.13910(17) 0.0408(9) Uani 1 1 d . . . . .
H22 H 0.3107 0.3283 0.1225 0.049 Uiso 1 1 calc R U . . .
C21 C 0.3009(2) 0.1468(3) 0.15637(16) 0.0342(8) Uani 1 1 d . . . . .
H21 H 0.2458 0.1429 0.1512 0.041 Uiso 1 1 calc R U . . .
C15 C 0.13714(19) -0.2091(3) 0.16367(17) 0.0326(8) Uani 1 1 d . . . . .
H15 H 0.1566 -0.2381 0.2071 0.039 Uiso 1 1 calc R U . . .
C16 C 0.0573(2) -0.2122(3) 0.14910(18) 0.0379(9) Uani 1 1 d . . . . .
H16 H 0.0227 -0.2441 0.1824 0.045 Uiso 1 1 calc R U . . .
C17' C 0.6188(2) 0.5509(4) 0.02335(19) 0.0493(10) Uani 1 1 d . . . . .
H17' H 0.6168 0.5497 -0.0256 0.059 Uiso 1 1 calc R U . . .
C18' C 0.5577(2) 0.6009(4) 0.0592(2) 0.0546(11) Uani 1 1 d . . . . .
H18' H 0.5139 0.6354 0.0348 0.066 Uiso 1 1 calc R U . . .
C19' C 0.5596(2) 0.6012(4) 0.13078(19) 0.0456(10) Uani 1 1 d . . . . .
H19' H 0.5169 0.6353 0.1548 0.055 Uiso 1 1 calc R U . . .
C14' C 0.62339(19) 0.5523(3) 0.16759(16) 0.0338(8) Uani 1 1 d . . . . .
C2' C 0.62520(19) 0.5455(3) 0.24472(16) 0.0336(8) Uani 1 1 d . . . . .
H2' H 0.5743 0.5800 0.2602 0.040 Uiso 1 1 calc R U . . .
C3' C 0.69061(18) 0.6238(3) 0.28290(15) 0.0283(8) Uani 1 1 d . . . . .
H3' H 0.7336 0.6395 0.2502 0.034 Uiso 1 1 calc R U . . .
C4' C 0.72036(18) 0.5345(3) 0.33882(15) 0.0290(8) Uani 1 1 d . . . . .
C9' C 0.78221(18) 0.5557(3) 0.38857(16) 0.0314(8) Uani 1 1 d . . . . .
C8' C 0.8032(2) 0.4536(3) 0.43316(17) 0.0377(9) Uani 1 1 d . . . . .
C13' C 0.8662(2) 0.4730(4) 0.48160(18) 0.0433(9) Uani 1 1 d . . . . .
H13' H 0.8818 0.4056 0.5114 0.052 Uiso 1 1 calc R U . . .
C12' C 0.9040(2) 0.5854(4) 0.48569(18) 0.0474(10) Uani 1 1 d . . . . .
H12' H 0.9453 0.5963 0.5186 0.057 Uiso 1 1 calc R U . . .
C1' C 0.6324(2) 0.4115(3) 0.27375(17) 0.0384(9) Uani 1 1 d . . . . .
C5' C 0.68611(19) 0.4170(3) 0.33450(16) 0.0342(8) Uani 1 1 d . . . . .
C20' C 0.65856(18) 0.7517(3) 0.30578(16) 0.0302(8) Uani 1 1 d . . . . .
C25' C 0.6352(2) 0.7722(3) 0.37286(17) 0.0365(8) Uani 1 1 d . . . . .
H25' H 0.6432 0.7078 0.4066 0.044 Uiso 1 1 calc R U . . .
C24' C 0.6004(2) 0.8860(4) 0.39093(19) 0.0438(9) Uani 1 1 d . . . . .
H24' H 0.5839 0.8989 0.4367 0.053 Uiso 1 1 calc R U . . .
C23' C 0.5896(2) 0.9798(4) 0.3427(2) 0.0466(10) Uani 1 1 d . . . . .
H23' H 0.5658 1.0576 0.3551 0.056 Uiso 1 1 calc R U . . .
C22' C 0.6133(2) 0.9614(4) 0.2764(2) 0.0452(10) Uani 1 1 d . . . . .
H22' H 0.6062 1.0269 0.2432 0.054 Uiso 1 1 calc R U . . .
C21' C 0.64735(19) 0.8476(3) 0.25795(17) 0.0360(8) Uani 1 1 d . . . . .
H21' H 0.6632 0.8353 0.2119 0.043 Uiso 1 1 calc R U . . .
C7' C 0.7639(2) 0.3357(3) 0.42879(19) 0.0441(9) Uani 1 1 d . . . . .
H7' H 0.7776 0.2695 0.4601 0.053 Uiso 1 1 calc R U . . .
C6' C 0.7065(2) 0.3162(3) 0.37980(18) 0.0449(10) Uani 1 1 d . . . . .
H6' H 0.6807 0.2365 0.3762 0.054 Uiso 1 1 calc R U . . .
C11' C 0.8828(2) 0.6862(4) 0.44191(18) 0.0431(9) Uani 1 1 d . . . . .
H11' H 0.9094 0.7651 0.4457 0.052 Uiso 1 1 calc R U . . .
C10' C 0.82379(19) 0.6711(3) 0.39370(16) 0.0352(8) Uani 1 1 d . . . . .
H10' H 0.8107 0.7391 0.3634 0.042 Uiso 1 1 calc R U . . .
C15' C 0.6852(2) 0.5040(3) 0.13024(16) 0.0366(8) Uani 1 1 d . . . . .
H15' H 0.7298 0.4712 0.1542 0.044 Uiso 1 1 calc R U . . .
C16' C 0.6826(2) 0.5030(3) 0.05870(17) 0.0426(9) Uani 1 1 d . . . . .
H16' H 0.7250 0.4691 0.0342 0.051 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 C1 1.218(4) . ?
O1' C1' 1.210(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(5) . ?
C17 C16 1.380(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.390(5) . ?
C19 H19 0.9500 . ?
C19 C14 1.386(4) . ?
C14 C2 1.509(4) . ?
C14 C15 1.400(4) . ?
C2 H2 1.0000 . ?
C2 C3 1.559(4) . ?
C2 C1 1.531(5) . ?
C3 H3 1.0000 . ?
C3 C4 1.509(4) . ?
C3 C20 1.525(4) . ?
C4 C9 1.427(4) . ?
C4 C5 1.369(4) . ?
C9 C8 1.436(4) . ?
C9 C10 1.393(4) . ?
C8 C13 1.407(5) . ?
C8 C7 1.424(5) . ?
C13 H13 0.9500 . ?
C13 C12 1.356(5) . ?
C12 H12 0.9500 . ?
C12 C11 1.396(5) . ?
C1 C5 1.469(4) . ?
C5 C6 1.421(5) . ?
C11 H11 0.9500 . ?
C11 C10 1.364(4) . ?
C10 H10 0.9500 . ?
C7 H7 0.9500 . ?
C7 C6 1.364(5) . ?
C6 H6 0.9500 . ?
C20 C25 1.392(4) . ?
C20 C21 1.391(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.377(5) . ?
C24 H24 0.9500 . ?
C24 C23 1.375(5) . ?
C23 H23 0.9500 . ?
C23 C22 1.388(5) . ?
C22 H22 0.9500 . ?
C22 C21 1.379(5) . ?
C21 H21 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.391(5) . ?
C16 H16 0.9500 . ?
C17' H17' 0.9500 . ?
C17' C18' 1.377(6) . ?
C17' C16' 1.372(5) . ?
C18' H18' 0.9500 . ?
C18' C19' 1.390(5) . ?
C19' H19' 0.9500 . ?
C19' C14' 1.390(5) . ?
C14' C2' 1.500(4) . ?
C14' C15' 1.396(5) . ?
C2' H2' 1.0000 . ?
C2' C3' 1.563(4) . ?
C2' C1' 1.523(5) . ?
C3' H3' 1.0000 . ?
C3' C4' 1.515(4) . ?
C3' C20' 1.525(4) . ?
C4' C9' 1.434(4) . ?
C4' C5' 1.371(4) . ?
C9' C8' 1.420(5) . ?
C9' C10' 1.411(5) . ?
C8' C13' 1.429(5) . ?
C8' C7' 1.414(5) . ?
C13' H13' 0.9500 . ?
C13' C12' 1.349(5) . ?
C12' H12' 0.9500 . ?
C12' C11' 1.402(5) . ?
C1' C5' 1.479(5) . ?
C5' C6' 1.416(5) . ?
C20' C25' 1.390(4) . ?
C20' C21' 1.382(4) . ?
C25' H25' 0.9500 . ?
C25' C24' 1.388(5) . ?
C24' H24' 0.9500 . ?
C24' C23' 1.370(5) . ?
C23' H23' 0.9500 . ?
C23' C22' 1.373(5) . ?
C22' H22' 0.9500 . ?
C22' C21' 1.384(5) . ?
C21' H21' 0.9500 . ?
C7' H7' 0.9500 . ?
C7' C6' 1.368(5) . ?
C6' H6' 0.9500 . ?
C11' H11' 0.9500 . ?
C11' C10' 1.370(5) . ?
C10' H10' 0.9500 . ?
C15' H15' 0.9500 . ?
C15' C16' 1.389(4) . ?
C16' H16' 0.9500 . ?

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
C18 C17 H17 120.1 . . ?
C18 C17 C16 119.7(3) . . ?
C16 C17 H17 120.1 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.5(3) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 119.6 . . ?
C14 C19 C18 120.7(3) . . ?
C14 C19 H19 119.6 . . ?
C19 C14 C2 121.2(3) . . ?
C19 C14 C15 118.2(3) . . ?
C15 C14 C2 120.5(3) . . ?
C14 C2 H2 108.2 . . ?
C14 C2 C3 114.1(2) . . ?
C14 C2 C1 113.0(3) . . ?
C3 C2 H2 108.2 . . ?
C1 C2 H2 108.2 . . ?
C1 C2 C3 104.9(3) . . ?
C2 C3 H3 108.4 . . ?
C4 C3 C2 104.4(3) . . ?
C4 C3 H3 108.4 . . ?
C4 C3 C20 115.4(3) . . ?
C20 C3 C2 111.6(2) . . ?
C20 C3 H3 108.4 . . ?
C9 C4 C3 126.6(3) . . ?
C5 C4 C3 112.3(3) . . ?
C5 C4 C9 120.9(3) . . ?
C4 C9 C8 117.2(3) . . ?
C10 C9 C4 123.7(3) . . ?
C10 C9 C8 119.1(3) . . ?
C13 C8 C9 117.7(3) . . ?
C13 C8 C7 122.3(3) . . ?
C7 C8 C9 119.9(3) . . ?
C8 C13 H13 119.2 . . ?
C12 C13 C8 121.6(3) . . ?
C12 C13 H13 119.2 . . ?
C13 C12 H12 119.9 . . ?
C13 C12 C11 120.3(3) . . ?
C11 C12 H12 119.9 . . ?
O1 C1 C2 125.4(3) . . ?
O1 C1 C5 126.5(3) . . ?
C5 C1 C2 108.1(3) . . ?
C4 C5 C1 110.2(3) . . ?
C4 C5 C6 121.8(3) . . ?
C6 C5 C1 128.0(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.2(3) . . ?
C10 C11 H11 119.9 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(3) . . ?
C11 C10 H10 119.4 . . ?
C8 C7 H7 119.3 . . ?
C6 C7 C8 121.3(3) . . ?
C6 C7 H7 119.3 . . ?
C5 C6 H6 120.6 . . ?
C7 C6 C5 118.7(3) . . ?
C7 C6 H6 120.6 . . ?
C25 C20 C3 122.7(3) . . ?
C21 C20 C3 118.9(3) . . ?
C21 C20 C25 118.3(3) . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.5(3) . . ?
C24 C25 H25 119.7 . . ?
C25 C24 H24 119.6 . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 H24 119.6 . . ?
C24 C23 H23 120.2 . . ?
C24 C23 C22 119.5(3) . . ?
C22 C23 H23 120.2 . . ?
C23 C22 H22 120.1 . . ?
C21 C22 C23 119.8(3) . . ?
C21 C22 H22 120.1 . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.1(3) . . ?
C22 C21 H21 119.5 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.7(3) . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18' C17' H17' 120.2 . . ?
C16' C17' H17' 120.2 . . ?
C16' C17' C18' 119.6(4) . . ?
C17' C18' H18' 119.7 . . ?
C17' C18' C19' 120.6(3) . . ?
C19' C18' H18' 119.7 . . ?
C18' C19' H19' 119.6 . . ?
C14' C19' C18' 120.7(3) . . ?
C14' C19' H19' 119.6 . . ?
C19' C14' C2' 121.8(3) . . ?
C19' C14' C15' 117.8(3) . . ?
C15' C14' C2' 120.4(3) . . ?
C14' C2' H2' 106.7 . . ?
C14' C2' C3' 116.4(3) . . ?
C14' C2' C1' 114.4(3) . . ?
C3' C2' H2' 106.7 . . ?
C1' C2' H2' 106.7 . . ?
C1' C2' C3' 105.2(3) . . ?
C2' C3' H3' 108.5 . . ?
C4' C3' C2' 103.7(3) . . ?
C4' C3' H3' 108.5 . . ?
C4' C3' C20' 117.1(2) . . ?
C20' C3' C2' 110.1(3) . . ?
C20' C3' H3' 108.5 . . ?
C9' C4' C3' 128.0(3) . . ?
C5' C4' C3' 112.4(3) . . ?
C5' C4' C9' 119.4(3) . . ?
C8' C9' C4' 117.7(3) . . ?
C10' C9' C4' 123.1(3) . . ?
C10' C9' C8' 119.2(3) . . ?
C9' C8' C13' 118.0(3) . . ?
C7' C8' C9' 121.0(3) . . ?
C7' C8' C13' 121.1(3) . . ?
C8' C13' H13' 119.4 . . ?
C12' C13' C8' 121.1(3) . . ?
C12' C13' H13' 119.4 . . ?
C13' C12' H12' 119.6 . . ?
C13' C12' C11' 120.8(4) . . ?
C11' C12' H12' 119.6 . . ?
O1' C1' C2' 126.4(3) . . ?
O1' C1' C5' 126.0(3) . . ?
C5' C1' C2' 107.6(3) . . ?
C4' C5' C1' 109.9(3) . . ?
C4' C5' C6' 122.6(3) . . ?
C6' C5' C1' 127.2(3) . . ?
C25' C20' C3' 121.7(3) . . ?
C21' C20' C3' 119.6(3) . . ?
C21' C20' C25' 118.6(3) . . ?
C20' C25' H25' 119.8 . . ?
C24' C25' C20' 120.5(3) . . ?
C24' C25' H25' 119.8 . . ?
C25' C24' H24' 120.0 . . ?
C23' C24' C25' 120.0(3) . . ?
C23' C24' H24' 120.0 . . ?
C24' C23' H23' 119.9 . . ?
C24' C23' C22' 120.2(3) . . ?
C22' C23' H23' 119.9 . . ?
C23' C22' H22' 119.9 . . ?
C23' C22' C21' 120.1(3) . . ?
C21' C22' H22' 119.9 . . ?
C20' C21' C22' 120.7(3) . . ?
C20' C21' H21' 119.7 . . ?
C22' C21' H21' 119.7 . . ?
C8' C7' H7' 119.8 . . ?
C6' C7' C8' 120.4(3) . . ?
C6' C7' H7' 119.8 . . ?
C5' C6' H6' 120.6 . . ?
C7' C6' C5' 118.8(3) . . ?
C7' C6' H6' 120.6 . . ?
C12' C11' H11' 119.9 . . ?
C10' C11' C12' 120.1(4) . . ?
C10' C11' H11' 119.9 . . ?
C9' C10' H10' 119.6 . . ?
C11' C10' C9' 120.7(3) . . ?
C11' C10' H10' 119.6 . . ?
C14' C15' H15' 119.4 . . ?
C16' C15' C14' 121.2(3) . . ?
C16' C15' H15' 119.4 . . ?
C17' C16' C15' 120.2(4) . . ?
C17' C16' H16' 119.9 . . ?
C15' C16' H16' 119.9 . . ?

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 C1 C5 C4 -178.9(3) . . . . ?
O1 C1 C5 C6 -1.8(5) . . . . ?
O1' C1' C5' C4' 169.9(3) . . . . ?
O1' C1' C5' C6' -5.1(6) . . . . ?
C17 C18 C19 C14 -0.6(6) . . . . ?
C18 C17 C16 C15 0.3(5) . . . . ?
C18 C19 C14 C2 -177.5(3) . . . . ?
C18 C19 C14 C15 0.3(5) . . . . ?
C19 C14 C2 C3 122.4(3) . . . . ?
C19 C14 C2 C1 -117.9(3) . . . . ?
C19 C14 C15 C16 0.4(5) . . . . ?
C14 C2 C3 C4 120.7(3) . . . . ?
C14 C2 C3 C20 -114.0(3) . . . . ?
C14 C2 C1 O1 56.2(4) . . . . ?
C14 C2 C1 C5 -122.4(3) . . . . ?
C14 C15 C16 C17 -0.7(5) . . . . ?
C2 C14 C15 C16 178.2(3) . . . . ?
C2 C3 C4 C9 -172.1(3) . . . . ?
C2 C3 C4 C5 3.6(3) . . . . ?
C2 C3 C20 C25 -98.2(3) . . . . ?
C2 C3 C20 C21 79.6(3) . . . . ?
C2 C1 C5 C4 -0.3(3) . . . . ?
C2 C1 C5 C6 176.8(3) . . . . ?
C3 C2 C1 O1 -179.0(3) . . . . ?
C3 C2 C1 C5 2.4(3) . . . . ?
C3 C4 C9 C8 176.9(3) . . . . ?
C3 C4 C9 C10 0.0(5) . . . . ?
C3 C4 C5 C1 -2.2(4) . . . . ?
C3 C4 C5 C6 -179.4(3) . . . . ?
C3 C20 C25 C24 178.6(3) . . . . ?
C3 C20 C21 C22 -178.6(3) . . . . ?
C4 C3 C20 C25 20.7(4) . . . . ?
C4 C3 C20 C21 -161.5(3) . . . . ?
C4 C9 C8 C13 -175.2(3) . . . . ?
C4 C9 C8 C7 1.5(4) . . . . ?
C4 C9 C10 C11 174.8(3) . . . . ?
C4 C5 C6 C7 2.1(5) . . . . ?
C9 C4 C5 C1 173.8(3) . . . . ?
C9 C4 C5 C6 -3.5(5) . . . . ?
C9 C8 C13 C12 -0.7(5) . . . . ?
C9 C8 C7 C6 -3.0(5) . . . . ?
C8 C9 C10 C11 -2.1(5) . . . . ?
C8 C13 C12 C11 -0.3(6) . . . . ?
C8 C7 C6 C5 1.2(5) . . . . ?
C13 C8 C7 C6 173.6(3) . . . . ?
C13 C12 C11 C10 0.1(6) . . . . ?
C12 C11 C10 C9 1.1(5) . . . . ?
C1 C2 C3 C4 -3.4(3) . . . . ?
C1 C2 C3 C20 121.8(3) . . . . ?
C1 C5 C6 C7 -174.7(3) . . . . ?
C5 C4 C9 C8 1.6(4) . . . . ?
C5 C4 C9 C10 -175.3(3) . . . . ?
C10 C9 C8 C13 1.9(5) . . . . ?
C10 C9 C8 C7 178.6(3) . . . . ?
C7 C8 C13 C12 -177.4(3) . . . . ?
C20 C3 C4 C9 65.1(4) . . . . ?
C20 C3 C4 C5 -119.3(3) . . . . ?
C20 C25 C24 C23 -0.5(5) . . . . ?
C25 C20 C21 C22 -0.8(5) . . . . ?
C25 C24 C23 C22 0.2(5) . . . . ?
C24 C23 C22 C21 -0.1(5) . . . . ?
C23 C22 C21 C20 0.4(5) . . . . ?
C21 C20 C25 C24 0.8(5) . . . . ?
C15 C14 C2 C3 -55.3(4) . . . . ?
C15 C14 C2 C1 64.4(4) . . . . ?
C16 C17 C18 C19 0.4(6) . . . . ?
C17' C18' C19' C14' 0.6(6) . . . . ?
C18' C17' C16' C15' 0.5(6) . . . . ?
C18' C19' C14' C2' -176.9(3) . . . . ?
C18' C19' C14' C15' 0.4(5) . . . . ?
C19' C14' C2' C3' -118.2(4) . . . . ?
C19' C14' C2' C1' 118.7(4) . . . . ?
C19' C14' C15' C16' -1.0(5) . . . . ?
C14' C2' C3' C4' -137.2(3) . . . . ?
C14' C2' C3' C20' 96.7(3) . . . . ?
C14' C2' C1' O1' -38.5(5) . . . . ?
C14' C2' C1' C5' 140.2(3) . . . . ?
C14' C15' C16' C17' 0.5(5) . . . . ?
C2' C14' C15' C16' 176.4(3) . . . . ?
C2' C3' C4' C9' 178.3(3) . . . . ?
C2' C3' C4' C5' 4.5(3) . . . . ?
C2' C3' C20' C25' 99.0(3) . . . . ?
C2' C3' C20' C21' -76.6(4) . . . . ?
C2' C1' C5' C4' -8.9(4) . . . . ?
C2' C1' C5' C6' 176.2(3) . . . . ?
C3' C2' C1' O1' -167.5(3) . . . . ?
C3' C2' C1' C5' 11.2(3) . . . . ?
C3' C4' C9' C8' -175.7(3) . . . . ?
C3' C4' C9' C10' 2.5(5) . . . . ?
C3' C4' C5' C1' 2.6(4) . . . . ?
C3' C4' C5' C6' 177.8(3) . . . . ?
C3' C20' C25' C24' -174.7(3) . . . . ?
C3' C20' C21' C22' 175.5(3) . . . . ?
C4' C3' C20' C25' -19.1(4) . . . . ?
C4' C3' C20' C21' 165.3(3) . . . . ?
C4' C9' C8' C13' 178.3(3) . . . . ?
C4' C9' C8' C7' -0.5(5) . . . . ?
C4' C9' C10' C11' -179.6(3) . . . . ?
C4' C5' C6' C7' -1.6(5) . . . . ?
C9' C4' C5' C1' -171.9(3) . . . . ?
C9' C4' C5' C6' 3.4(5) . . . . ?
C9' C8' C13' C12' 1.0(5) . . . . ?
C9' C8' C7' C6' 2.2(5) . . . . ?
C8' C9' C10' C11' -1.3(5) . . . . ?
C8' C13' C12' C11' -0.6(5) . . . . ?
C8' C7' C6' C5' -1.2(5) . . . . ?
C13' C8' C7' C6' -176.5(3) . . . . ?
C13' C12' C11' C10' -0.7(5) . . . . ?
C12' C11' C10' C9' 1.7(5) . . . . ?
C1' C2' C3' C4' -9.4(3) . . . . ?
C1' C2' C3' C20' -135.5(3) . . . . ?
C1' C5' C6' C7' 172.7(3) . . . . ?
C5' C4' C9' C8' -2.2(4) . . . . ?
C5' C4' C9' C10' 176.0(3) . . . . ?
C20' C3' C4' C9' -60.1(4) . . . . ?
C20' C3' C4' C5' 126.0(3) . . . . ?
C20' C25' C24' C23' -0.8(5) . . . . ?
C25' C20' C21' C22' -0.3(5) . . . . ?
C25' C24' C23' C22' 0.0(6) . . . . ?
C24' C23' C22' C21' 0.6(5) . . . . ?
C23' C22' C21' C20' -0.5(5) . . . . ?
C21' C20' C25' C24' 1.0(5) . . . . ?
C7' C8' C13' C12' 179.8(3) . . . . ?
C10' C9' C8' C13' 0.0(5) . . . . ?
C10' C9' C8' C7' -178.8(3) . . . . ?
C15' C14' C2' C3' 64.6(4) . . . . ?
C15' C14' C2' C1' -58.6(4) . . . . ?
C16' C17' C18' C19' -1.1(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
