# 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_kmxy2024_0m
_database_code_depnum_ccdc_archive 'CCDC 2447914'
loop_
_audit_author_name
_audit_author_address
'Lou Shi'
;Kunming University
China
;
_audit_update_record             
;
2025-04-30 deposited with the CCDC.	2025-11-19 downloaded from the CCDC.
;
_audit_creation_date             2024-11-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6032)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C24 H18 O2)'
_chemical_formula_sum            'C48 H36 O4'
_chemical_formula_weight         676.77
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6426(3)
_cell_length_b                   12.3442(3)
_cell_length_c                   15.2224(4)
_cell_angle_alpha                90.9720(10)
_cell_angle_beta                 103.3140(10)
_cell_angle_gamma                96.0790(10)
_cell_volume                     1751.71(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9855
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      67.568
_cell_measurement_theta_min      2.335
_shelx_estimated_absorpt_T_max   0.873
_shelx_estimated_absorpt_T_min   0.777
_exptl_absorpt_coefficient_mu    0.634
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26293
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.278
_diffrn_reflns_theta_min         2.986
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5581
_reflns_number_total             6410
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.248
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6410
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0542
_refine_ls_restrained_S_all      1.248
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1609
_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 Secondary CH2 refined with riding coordinates:
 C00W(H00A,H00B), C013(H01C,H01H)
2.b Aromatic/amide H refined with riding coordinates:
 C00A(H00D), C00C(H00C), C00D(H00E), C00F(H00F), C00K(H00K), C00L(H00L),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010), C011(H011),
 C012(H012), C014(H014), C015(H015), C016(H016), C017(H017), C018(H018),
 C019(H019), C01A(H01A), C01B(H01B), C01C(H01I), C01D(H01D), C01E(H01E),
 C01F(H01F), C01G(H01G)
;
_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
O001 O 1.01868(11) 0.12279(8) 0.43753(6) 0.0311(2) Uani 1 1 d . . . . .
O002 O 1.08613(12) 0.33273(8) 0.49947(7) 0.0376(3) Uani 1 1 d . . . . .
O003 O 0.57059(12) 0.40039(8) 0.44139(7) 0.0352(3) Uani 1 1 d . . . . .
O004 O 0.60162(12) 0.19107(9) 0.48158(7) 0.0378(3) Uani 1 1 d . . . . .
C005 C 0.94358(13) 0.11597(10) 0.19026(9) 0.0250(3) Uani 1 1 d . . . . .
C006 C 1.00848(13) 0.09991(10) 0.28255(9) 0.0247(3) Uani 1 1 d . . . . .
C007 C 0.95315(14) 0.14752(10) 0.35158(9) 0.0261(3) Uani 1 1 d . . . . .
C008 C 0.47497(13) 0.40568(10) 0.19421(9) 0.0250(3) Uani 1 1 d . . . . .
C009 C 0.54980(14) 0.42655(10) 0.28623(9) 0.0264(3) Uani 1 1 d . . . . .
C00A C 0.36336(15) 0.30991(12) 0.33328(9) 0.0316(3) Uani 1 1 d . . . . .
H00D H 0.3238 0.2777 0.3796 0.038 Uiso 1 1 calc R U . . .
C00B C 0.93511(15) 0.32775(11) 0.60216(9) 0.0296(3) Uani 1 1 d . . . . .
C00C C 1.00439(14) 0.07241(11) 0.12300(9) 0.0294(3) Uani 1 1 d . . . . .
H00C H 0.9637 0.0832 0.0612 0.035 Uiso 1 1 calc R U . . .
C00D C 0.53274(15) 0.45867(10) 0.12669(9) 0.0284(3) Uani 1 1 d . . . . .
H00E H 0.4838 0.4461 0.0651 0.034 Uiso 1 1 calc R U . . .
C00E C 0.46013(14) 0.17808(11) 0.59017(9) 0.0298(3) Uani 1 1 d . . . . .
C00F C 0.84225(15) 0.21066(11) 0.32986(9) 0.0305(3) Uani 1 1 d . . . . .
H00F H 0.8080 0.2441 0.3762 0.037 Uiso 1 1 calc R U . . .
C00G C 0.34377(14) 0.33416(10) 0.17265(9) 0.0260(3) Uani 1 1 d . . . . .
C00H C 0.82471(14) 0.17863(11) 0.16880(9) 0.0281(3) Uani 1 1 d . . . . .
C00I C 1.00199(15) 0.27901(11) 0.53398(9) 0.0289(3) Uani 1 1 d . . . . .
C00J C 0.49071(15) 0.37570(10) 0.35502(9) 0.0283(3) Uani 1 1 d . . . . .
C00K C 1.12863(14) 0.04010(10) 0.30382(9) 0.0285(3) Uani 1 1 d . . . . .
H00K H 1.1717 0.0290 0.3652 0.034 Uiso 1 1 calc R U . . .
C00L C 0.77956(15) 0.22554(11) 0.23838(10) 0.0322(3) Uani 1 1 d . . . . .
H00L H 0.7031 0.2697 0.2242 0.039 Uiso 1 1 calc R U . . .
C00M C 0.26661(14) 0.30395(10) 0.07716(9) 0.0272(3) Uani 1 1 d . . . . .
C00N C 0.53049(15) 0.23653(11) 0.52408(9) 0.0302(3) Uani 1 1 d . . . . .
C00O C 0.75105(14) 0.19593(13) 0.07350(10) 0.0325(3) Uani 1 1 d . . . . .
C00P C 1.18316(15) -0.00182(11) 0.23674(10) 0.0323(3) Uani 1 1 d . . . . .
H00P H 1.2632 -0.0423 0.2517 0.039 Uiso 1 1 calc R U . . .
C00Q C 0.32584(15) 0.23816(11) 0.02359(10) 0.0328(3) Uani 1 1 d . . . . .
H00Q H 0.4188 0.2169 0.0465 0.039 Uiso 1 1 calc R U . . .
C00R C 0.87104(17) 0.26359(12) 0.65992(9) 0.0350(3) Uani 1 1 d . . . . .
H00R H 0.8679 0.1865 0.6557 0.042 Uiso 1 1 calc R U . . .
C00S C 1.12063(15) 0.01502(11) 0.14533(10) 0.0322(3) Uani 1 1 d . . . . .
H00S H 1.1594 -0.0136 0.0990 0.039 Uiso 1 1 calc R U . . .
C00T C 0.29089(15) 0.29008(11) 0.24186(10) 0.0311(3) Uani 1 1 d . . . . .
H00T H 0.2022 0.2445 0.2278 0.037 Uiso 1 1 calc R U . . .
C00U C 0.68093(15) 0.49612(11) 0.30677(10) 0.0321(3) Uani 1 1 d . . . . .
H00U H 0.7329 0.5086 0.3678 0.039 Uiso 1 1 calc R U . . .
C00V C 0.24977(17) 0.20350(12) -0.06310(10) 0.0368(3) Uani 1 1 d . . . . .
H00V H 0.2906 0.1580 -0.0989 0.044 Uiso 1 1 calc R U . . .
C00W C 0.96037(16) 0.15793(11) 0.50892(9) 0.0303(3) Uani 1 1 d . . . . .
H00A H 0.9943 0.1153 0.5626 0.036 Uiso 1 1 calc R U . . .
H00B H 0.8545 0.1432 0.4909 0.036 Uiso 1 1 calc R U . . .
C00X C 0.93825(17) 0.44053(12) 0.60901(10) 0.0368(3) Uani 1 1 d . . . . .
H00X H 0.9822 0.4848 0.5703 0.044 Uiso 1 1 calc R U . . .
C00Y C 0.48462(16) 0.07032(12) 0.60708(10) 0.0342(3) Uani 1 1 d . . . . .
H00Y H 0.5468 0.0366 0.5777 0.041 Uiso 1 1 calc R U . . .
C00Z C 0.74804(16) 0.30143(15) 0.04258(11) 0.0413(4) Uani 1 1 d . . . . .
H00Z H 0.7958 0.3616 0.0816 0.050 Uiso 1 1 calc R U . . .
C010 C 0.36963(17) 0.22714(13) 0.63419(10) 0.0378(3) Uani 1 1 d . . . . .
H010 H 0.3528 0.3008 0.6237 0.045 Uiso 1 1 calc R U . . .
C011 C 0.11524(16) 0.23479(13) -0.09742(10) 0.0387(3) Uani 1 1 d . . . . .
H011 H 0.0631 0.2104 -0.1565 0.046 Uiso 1 1 calc R U . . .
C012 C 0.65791(16) 0.52783(11) 0.14834(10) 0.0342(3) Uani 1 1 d . . . . .
H012 H 0.6938 0.5637 0.1021 0.041 Uiso 1 1 calc R U . . .
C013 C 0.51342(17) 0.35728(11) 0.51277(9) 0.0350(3) Uani 1 1 d . . . . .
H01C H 0.4103 0.3672 0.5008 0.042 Uiso 1 1 calc R U . . .
H01H H 0.5625 0.3984 0.5698 0.042 Uiso 1 1 calc R U . . .
C014 C 0.81208(18) 0.31210(14) 0.72342(10) 0.0411(3) Uani 1 1 d . . . . .
H014 H 0.7695 0.2682 0.7630 0.049 Uiso 1 1 calc R U . . .
C015 C 0.73311(16) 0.54548(11) 0.23926(11) 0.0359(3) Uani 1 1 d . . . . .
H015 H 0.8209 0.5921 0.2539 0.043 Uiso 1 1 calc R U . . .
C016 C 0.30421(18) 0.16815(15) 0.69347(11) 0.0430(4) Uani 1 1 d . . . . .
H016 H 0.2424 0.2016 0.7233 0.052 Uiso 1 1 calc R U . . .
C017 C 0.13186(16) 0.33569(15) 0.04140(11) 0.0409(4) Uani 1 1 d . . . . .
H017 H 0.0904 0.3812 0.0768 0.049 Uiso 1 1 calc R U . . .
C018 C 0.32847(17) 0.06110(14) 0.70941(10) 0.0398(4) Uani 1 1 d . . . . .
H018 H 0.2831 0.0212 0.7499 0.048 Uiso 1 1 calc R U . . .
C019 C 0.41915(18) 0.01192(13) 0.66630(11) 0.0395(3) Uani 1 1 d . . . . .
H019 H 0.4363 -0.0616 0.6774 0.047 Uiso 1 1 calc R U . . .
C01A C 0.68034(16) 0.10895(15) 0.01532(11) 0.0416(4) Uani 1 1 d . . . . .
H01A H 0.6814 0.0366 0.0355 0.050 Uiso 1 1 calc R U . . .
C01B C 0.87775(18) 0.48887(13) 0.67187(12) 0.0434(4) Uani 1 1 d . . . . .
H01B H 0.8792 0.5659 0.6756 0.052 Uiso 1 1 calc R U . . .
C01C C 0.05693(17) 0.30145(17) -0.04574(11) 0.0468(4) Uani 1 1 d . . . . .
H01I H -0.0349 0.3242 -0.0696 0.056 Uiso 1 1 calc R U . . .
C01D C 0.81511(18) 0.42467(15) 0.72930(11) 0.0432(4) Uani 1 1 d . . . . .
H01D H 0.7743 0.4577 0.7727 0.052 Uiso 1 1 calc R U . . .
C01E C 0.60465(19) 0.2321(2) -0.10266(12) 0.0607(6) Uani 1 1 d . . . . .
H01E H 0.5544 0.2445 -0.1624 0.073 Uiso 1 1 calc R U . . .
C01F C 0.67520(19) 0.3190(2) -0.04526(13) 0.0564(5) Uani 1 1 d . . . . .
H01F H 0.6739 0.3911 -0.0660 0.068 Uiso 1 1 calc R U . . .
C01G C 0.60764(18) 0.1279(2) -0.07281(12) 0.0554(5) Uani 1 1 d . . . . .
H01G H 0.5600 0.0681 -0.1123 0.067 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
O001 C007 1.3705(16) . ?
O001 C00W 1.4150(16) . ?
O002 C00I 1.2117(18) . ?
O003 C00J 1.3729(17) . ?
O003 C013 1.4146(18) . ?
O004 C00N 1.2156(18) . ?
C005 C006 1.4267(18) . ?
C005 C00C 1.4163(18) . ?
C005 C00H 1.4292(19) . ?
C006 C007 1.4276(18) . ?
C006 C00K 1.4172(19) . ?
C007 C00F 1.372(2) . ?
C008 C009 1.4255(18) . ?
C008 C00D 1.4156(19) . ?
C008 C00G 1.4318(18) . ?
C009 C00J 1.4271(19) . ?
C009 C00U 1.4187(19) . ?
C00A H00D 0.9500 . ?
C00A C00J 1.367(2) . ?
C00A C00T 1.410(2) . ?
C00B C00I 1.4914(19) . ?
C00B C00R 1.397(2) . ?
C00B C00X 1.391(2) . ?
C00C H00C 0.9500 . ?
C00C C00S 1.369(2) . ?
C00D H00E 0.9500 . ?
C00D C012 1.372(2) . ?
C00E C00N 1.4928(19) . ?
C00E C00Y 1.393(2) . ?
C00E C010 1.394(2) . ?
C00F H00F 0.9500 . ?
C00F C00L 1.4081(19) . ?
C00G C00M 1.4934(17) . ?
C00G C00T 1.3691(19) . ?
C00H C00L 1.3754(19) . ?
C00H C00O 1.4909(19) . ?
C00I C00W 1.5243(18) . ?
C00K H00K 0.9500 . ?
C00K C00P 1.369(2) . ?
C00L H00L 0.9500 . ?
C00M C00Q 1.393(2) . ?
C00M C017 1.388(2) . ?
C00N C013 1.5251(19) . ?
C00O C00Z 1.393(2) . ?
C00O C01A 1.392(2) . ?
C00P H00P 0.9500 . ?
C00P C00S 1.412(2) . ?
C00Q H00Q 0.9500 . ?
C00Q C00V 1.390(2) . ?
C00R H00R 0.9500 . ?
C00R C014 1.386(2) . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9500 . ?
C00U H00U 0.9500 . ?
C00U C015 1.369(2) . ?
C00V H00V 0.9500 . ?
C00V C011 1.380(2) . ?
C00W H00A 0.9900 . ?
C00W H00B 0.9900 . ?
C00X H00X 0.9500 . ?
C00X C01B 1.387(2) . ?
C00Y H00Y 0.9500 . ?
C00Y C019 1.385(2) . ?
C00Z H00Z 0.9500 . ?
C00Z C01F 1.392(2) . ?
C010 H010 0.9500 . ?
C010 C016 1.389(2) . ?
C011 H011 0.9500 . ?
C011 C01C 1.375(3) . ?
C012 H012 0.9500 . ?
C012 C015 1.408(2) . ?
C013 H01C 0.9900 . ?
C013 H01H 0.9900 . ?
C014 H014 0.9500 . ?
C014 C01D 1.388(3) . ?
C015 H015 0.9500 . ?
C016 H016 0.9500 . ?
C016 C018 1.382(3) . ?
C017 H017 0.9500 . ?
C017 C01C 1.391(2) . ?
C018 H018 0.9500 . ?
C018 C019 1.388(2) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01A C01G 1.399(2) . ?
C01B H01B 0.9500 . ?
C01B C01D 1.387(3) . ?
C01C H01I 0.9500 . ?
C01D H01D 0.9500 . ?
C01E H01E 0.9500 . ?
C01E C01F 1.385(4) . ?
C01E C01G 1.372(4) . ?
C01F H01F 0.9500 . ?
C01G H01G 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
C007 O001 C00W 117.46(10) . . ?
C00J O003 C013 117.05(11) . . ?
C006 C005 C00H 119.58(12) . . ?
C00C C005 C006 118.03(12) . . ?
C00C C005 C00H 122.33(12) . . ?
C005 C006 C007 118.96(12) . . ?
C00K C006 C005 119.54(12) . . ?
C00K C006 C007 121.47(12) . . ?
O001 C007 C006 114.20(11) . . ?
O001 C007 C00F 125.12(12) . . ?
C00F C007 C006 120.67(12) . . ?
C009 C008 C00G 119.76(12) . . ?
C00D C008 C009 118.23(11) . . ?
C00D C008 C00G 122.00(12) . . ?
C008 C009 C00J 118.72(12) . . ?
C00U C009 C008 119.30(12) . . ?
C00U C009 C00J 121.97(12) . . ?
C00J C00A H00D 120.1 . . ?
C00J C00A C00T 119.79(13) . . ?
C00T C00A H00D 120.1 . . ?
C00R C00B C00I 121.96(12) . . ?
C00X C00B C00I 118.88(13) . . ?
C00X C00B C00R 119.16(13) . . ?
C005 C00C H00C 119.4 . . ?
C00S C00C C005 121.30(12) . . ?
C00S C00C H00C 119.4 . . ?
C008 C00D H00E 119.3 . . ?
C012 C00D C008 121.42(13) . . ?
C012 C00D H00E 119.3 . . ?
C00Y C00E C00N 118.49(13) . . ?
C00Y C00E C010 119.26(14) . . ?
C010 C00E C00N 122.24(13) . . ?
C007 C00F H00F 120.3 . . ?
C007 C00F C00L 119.49(12) . . ?
C00L C00F H00F 120.3 . . ?
C008 C00G C00M 121.73(11) . . ?
C00T C00G C008 118.66(12) . . ?
C00T C00G C00M 119.57(11) . . ?
C005 C00H C00O 121.75(12) . . ?
C00L C00H C005 118.66(12) . . ?
C00L C00H C00O 119.58(12) . . ?
O002 C00I C00B 121.87(12) . . ?
O002 C00I C00W 120.81(13) . . ?
C00B C00I C00W 117.32(11) . . ?
O003 C00J C009 114.46(11) . . ?
C00A C00J O003 124.83(13) . . ?
C00A C00J C009 120.69(12) . . ?
C006 C00K H00K 119.7 . . ?
C00P C00K C006 120.63(12) . . ?
C00P C00K H00K 119.7 . . ?
C00F C00L H00L 118.7 . . ?
C00H C00L C00F 122.54(12) . . ?
C00H C00L H00L 118.7 . . ?
C00Q C00M C00G 120.24(12) . . ?
C017 C00M C00G 121.05(13) . . ?
C017 C00M C00Q 118.62(13) . . ?
O004 C00N C00E 121.85(12) . . ?
O004 C00N C013 120.42(13) . . ?
C00E C00N C013 117.72(12) . . ?
C00Z C00O C00H 119.64(14) . . ?
C01A C00O C00H 121.32(14) . . ?
C01A C00O C00Z 118.99(15) . . ?
C00K C00P H00P 119.9 . . ?
C00K C00P C00S 120.12(12) . . ?
C00S C00P H00P 119.9 . . ?
C00M C00Q H00Q 119.8 . . ?
C00V C00Q C00M 120.38(13) . . ?
C00V C00Q H00Q 119.8 . . ?
C00B C00R H00R 119.9 . . ?
C014 C00R C00B 120.23(14) . . ?
C014 C00R H00R 119.9 . . ?
C00C C00S C00P 120.38(13) . . ?
C00C C00S H00S 119.8 . . ?
C00P C00S H00S 119.8 . . ?
C00A C00T H00T 118.8 . . ?
C00G C00T C00A 122.33(12) . . ?
C00G C00T H00T 118.8 . . ?
C009 C00U H00U 119.8 . . ?
C015 C00U C009 120.49(13) . . ?
C015 C00U H00U 119.8 . . ?
C00Q C00V H00V 119.8 . . ?
C011 C00V C00Q 120.35(14) . . ?
C011 C00V H00V 119.8 . . ?
O001 C00W C00I 112.53(11) . . ?
O001 C00W H00A 109.1 . . ?
O001 C00W H00B 109.1 . . ?
C00I C00W H00A 109.1 . . ?
C00I C00W H00B 109.1 . . ?
H00A C00W H00B 107.8 . . ?
C00B C00X H00X 119.7 . . ?
C01B C00X C00B 120.55(15) . . ?
C01B C00X H00X 119.7 . . ?
C00E C00Y H00Y 119.7 . . ?
C019 C00Y C00E 120.61(14) . . ?
C019 C00Y H00Y 119.7 . . ?
C00O C00Z H00Z 119.9 . . ?
C01F C00Z C00O 120.20(18) . . ?
C01F C00Z H00Z 119.9 . . ?
C00E C010 H010 120.1 . . ?
C016 C010 C00E 119.87(15) . . ?
C016 C010 H010 120.1 . . ?
C00V C011 H011 120.1 . . ?
C01C C011 C00V 119.74(13) . . ?
C01C C011 H011 120.1 . . ?
C00D C012 H012 120.1 . . ?
C00D C012 C015 119.89(13) . . ?
C015 C012 H012 120.1 . . ?
O003 C013 C00N 112.38(12) . . ?
O003 C013 H01C 109.1 . . ?
O003 C013 H01H 109.1 . . ?
C00N C013 H01C 109.1 . . ?
C00N C013 H01H 109.1 . . ?
H01C C013 H01H 107.9 . . ?
C00R C014 H014 119.9 . . ?
C00R C014 C01D 120.12(15) . . ?
C01D C014 H014 119.9 . . ?
C00U C015 C012 120.63(12) . . ?
C00U C015 H015 119.7 . . ?
C012 C015 H015 119.7 . . ?
C010 C016 H016 119.8 . . ?
C018 C016 C010 120.47(15) . . ?
C018 C016 H016 119.8 . . ?
C00M C017 H017 119.7 . . ?
C00M C017 C01C 120.65(15) . . ?
C01C C017 H017 119.7 . . ?
C016 C018 H018 120.0 . . ?
C016 C018 C019 120.00(14) . . ?
C019 C018 H018 120.0 . . ?
C00Y C019 C018 119.79(15) . . ?
C00Y C019 H019 120.1 . . ?
C018 C019 H019 120.1 . . ?
C00O C01A H01A 119.9 . . ?
C00O C01A C01G 120.14(18) . . ?
C01G C01A H01A 119.9 . . ?
C00X C01B H01B 120.0 . . ?
C01D C01B C00X 119.94(15) . . ?
C01D C01B H01B 120.0 . . ?
C011 C01C C017 120.25(15) . . ?
C011 C01C H01I 119.9 . . ?
C017 C01C H01I 119.9 . . ?
C014 C01D H01D 120.0 . . ?
C01B C01D C014 120.01(15) . . ?
C01B C01D H01D 120.0 . . ?
C01F C01E H01E 120.2 . . ?
C01G C01E H01E 120.2 . . ?
C01G C01E C01F 119.65(16) . . ?
C00Z C01F H01F 119.8 . . ?
C01E C01F C00Z 120.5(2) . . ?
C01E C01F H01F 119.8 . . ?
C01A C01G H01G 119.7 . . ?
C01E C01G C01A 120.5(2) . . ?
C01E C01G H01G 119.7 . . ?

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
O001 C007 C00F C00L -176.90(12) . . . . ?
O002 C00I C00W O001 -5.86(18) . . . . ?
O004 C00N C013 O003 8.13(18) . . . . ?
C005 C006 C007 O001 177.04(10) . . . . ?
C005 C006 C007 C00F -2.05(17) . . . . ?
C005 C006 C00K C00P 0.30(18) . . . . ?
C005 C00C C00S C00P -0.2(2) . . . . ?
C005 C00H C00L C00F -2.6(2) . . . . ?
C005 C00H C00O C00Z -119.45(15) . . . . ?
C005 C00H C00O C01A 62.92(18) . . . . ?
C006 C005 C00C C00S 1.01(18) . . . . ?
C006 C005 C00H C00L 2.51(18) . . . . ?
C006 C005 C00H C00O -178.69(11) . . . . ?
C006 C007 C00F C00L 2.08(19) . . . . ?
C006 C00K C00P C00S 0.5(2) . . . . ?
C007 O001 C00W C00I -77.62(14) . . . . ?
C007 C006 C00K C00P -177.78(12) . . . . ?
C007 C00F C00L C00H 0.3(2) . . . . ?
C008 C009 C00J O003 179.77(11) . . . . ?
C008 C009 C00J C00A -1.27(19) . . . . ?
C008 C009 C00U C015 2.0(2) . . . . ?
C008 C00D C012 C015 1.3(2) . . . . ?
C008 C00G C00M C00Q 68.68(17) . . . . ?
C008 C00G C00M C017 -114.72(15) . . . . ?
C008 C00G C00T C00A -2.1(2) . . . . ?
C009 C008 C00D C012 0.5(2) . . . . ?
C009 C008 C00G C00M -175.88(11) . . . . ?
C009 C008 C00G C00T 2.07(19) . . . . ?
C009 C00U C015 C012 -0.2(2) . . . . ?
C00B C00I C00W O001 174.13(11) . . . . ?
C00B C00R C014 C01D 0.7(2) . . . . ?
C00B C00X C01B C01D 0.8(2) . . . . ?
C00C C005 C006 C007 177.07(10) . . . . ?
C00C C005 C006 C00K -1.06(17) . . . . ?
C00C C005 C00H C00L -174.72(12) . . . . ?
C00C C005 C00H C00O 4.08(19) . . . . ?
C00D C008 C009 C00J 178.46(11) . . . . ?
C00D C008 C009 C00U -2.11(18) . . . . ?
C00D C008 C00G C00M 5.25(19) . . . . ?
C00D C008 C00G C00T -176.81(12) . . . . ?
C00D C012 C015 C00U -1.5(2) . . . . ?
C00E C00N C013 O003 -173.27(11) . . . . ?
C00E C00Y C019 C018 -0.1(2) . . . . ?
C00E C010 C016 C018 0.2(2) . . . . ?
C00G C008 C009 C00J -0.46(18) . . . . ?
C00G C008 C009 C00U 178.97(12) . . . . ?
C00G C008 C00D C012 179.38(13) . . . . ?
C00G C00M C00Q C00V 175.39(12) . . . . ?
C00G C00M C017 C01C -175.93(15) . . . . ?
C00H C005 C006 C007 -0.28(17) . . . . ?
C00H C005 C006 C00K -178.41(11) . . . . ?
C00H C005 C00C C00S 178.28(12) . . . . ?
C00H C00O C00Z C01F -177.68(13) . . . . ?
C00H C00O C01A C01G 177.67(13) . . . . ?
C00I C00B C00R C014 178.94(13) . . . . ?
C00I C00B C00X C01B -179.71(13) . . . . ?
C00J O003 C013 C00N 76.74(15) . . . . ?
C00J C009 C00U C015 -178.60(13) . . . . ?
C00J C00A C00T C00G 0.3(2) . . . . ?
C00K C006 C007 O001 -4.87(16) . . . . ?
C00K C006 C007 C00F 176.04(12) . . . . ?
C00K C00P C00S C00C -0.6(2) . . . . ?
C00L C00H C00O C00Z 59.33(18) . . . . ?
C00L C00H C00O C01A -118.29(15) . . . . ?
C00M C00G C00T C00A 175.94(13) . . . . ?
C00M C00Q C00V C011 0.6(2) . . . . ?
C00M C017 C01C C011 0.5(3) . . . . ?
C00N C00E C00Y C019 -178.54(12) . . . . ?
C00N C00E C010 C016 178.47(13) . . . . ?
C00O C00H C00L C00F 178.61(13) . . . . ?
C00O C00Z C01F C01E 0.2(2) . . . . ?
C00O C01A C01G C01E -0.3(2) . . . . ?
C00Q C00M C017 C01C 0.7(2) . . . . ?
C00Q C00V C011 C01C 0.6(2) . . . . ?
C00R C00B C00I O002 -161.94(14) . . . . ?
C00R C00B C00I C00W 18.06(18) . . . . ?
C00R C00B C00X C01B -0.4(2) . . . . ?
C00R C014 C01D C01B -0.3(2) . . . . ?
C00T C00A C00J O003 -179.79(12) . . . . ?
C00T C00A C00J C009 1.4(2) . . . . ?
C00T C00G C00M C00Q -109.25(15) . . . . ?
C00T C00G C00M C017 67.35(18) . . . . ?
C00U C009 C00J O003 0.36(18) . . . . ?
C00U C009 C00J C00A 179.33(13) . . . . ?
C00V C011 C01C C017 -1.2(3) . . . . ?
C00W O001 C007 C006 -173.84(10) . . . . ?
C00W O001 C007 C00F 5.20(18) . . . . ?
C00X C00B C00I O002 17.30(19) . . . . ?
C00X C00B C00I C00W -162.70(13) . . . . ?
C00X C00B C00R C014 -0.3(2) . . . . ?
C00X C01B C01D C014 -0.5(2) . . . . ?
C00Y C00E C00N O004 3.97(19) . . . . ?
C00Y C00E C00N C013 -174.60(12) . . . . ?
C00Y C00E C010 C016 -0.6(2) . . . . ?
C00Z C00O C01A C01G 0.0(2) . . . . ?
C010 C00E C00N O004 -175.08(13) . . . . ?
C010 C00E C00N C013 6.35(19) . . . . ?
C010 C00E C00Y C019 0.5(2) . . . . ?
C010 C016 C018 C019 0.2(2) . . . . ?
C013 O003 C00J C009 176.55(11) . . . . ?
C013 O003 C00J C00A -2.4(2) . . . . ?
C016 C018 C019 C00Y -0.3(2) . . . . ?
C017 C00M C00Q C00V -1.3(2) . . . . ?
C01A C00O C00Z C01F 0.0(2) . . . . ?
C01F C01E C01G C01A 0.5(3) . . . . ?
C01G C01E C01F C00Z -0.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
