# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_cu_yxy_0507_0m
_database_code_depnum_ccdc_archive 'CCDC 2160358'
loop_
_audit_author_name
_audit_author_address
'Xiaoyu Yang'
;ShanghaiTech University
China
;
_audit_update_record             
;
2022-03-21 deposited with the CCDC.	2022-05-31 downloaded from the CCDC.
;
_audit_creation_date             2021-05-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2013-2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C42 H49 N O3'
_chemical_formula_sum            'C42 H49 N O3'
_chemical_formula_weight         615.82
_chemical_absolute_configuration ?
_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'
N N 0.0311 0.0180 '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      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                   10.9530(2)
_cell_length_b                   11.3417(2)
_cell_length_c                   28.7781(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3574.98(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    150
_cell_measurement_theta_max      79.38
_cell_measurement_theta_min      3.07
_shelx_estimated_absorpt_T_max   0.947
_shelx_estimated_absorpt_T_min   0.875
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.7543
_exptl_absorpt_correction_T_min  0.6684
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1271 before and 0.0513 after correction.
The Ratio of minimum to maximum transmission is 0.8861.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            72241
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         79.463
_diffrn_reflns_theta_min         3.071
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_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           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.773
_reflns_Friedel_fraction_full    0.995
_reflns_Friedel_fraction_max     0.983
_reflns_number_gt                7602
_reflns_number_total             7699
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.223
_refine_diff_density_min         -0.144
_refine_diff_density_rms         0.029
_refine_ls_abs_structure_details 
;
 Flack x determined using 3288 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.03(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         7699
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0283
_refine_ls_restrained_S_all      1.060
_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)+(0.0372P)²+0.4945P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0741
_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:
 C00G(H00A,H00B), C00P(H00G,H00I), C00R(H00L,H00M), C00S(H00N,H00P), C00V(H00V,
 H00W), C00X(H00Z,HA), C014(H01D,H01E), C016(H01F,H01G), C019(H01K,H01L),
 C01A(H01M,H01N)
2.b Aromatic/amide H refined with riding coordinates:
 C005(H005), C00C(H00C), C00H(H00H), C00J(H00J), C00K(H00K), C00O(H00O),
 C00Q(H00Q), C00U(H00U), C00Y(H00), C00Z(H0AA), C010(H010), C011(H011),
 C013(H013), C017(H017)
2.c Idealised Me refined as rotating group:
 C00L(H00D,H00E,H00F), C00T(H00R,H00S,H00T), C00W(H00X,H00Y,H), C012(H01A,H01B,
 H01C), C018(H01H,H01I,H01J)
;
_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
O001 O -0.12245(9) 0.81121(10) 0.65866(4) 0.0313(2) Uani 1 1 d . . . . .
O002 O 0.04158(10) 0.51246(9) 0.50474(3) 0.0289(2) Uani 1 1 d . . . . .
O003 O 0.53494(9) 0.59055(10) 0.67426(4) 0.0330(2) Uani 1 1 d . . . . .
N004 N 0.04437(10) 0.69971(10) 0.64488(4) 0.0219(2) Uani 1 1 d . . . . .
C005 C 0.20744(13) 0.55807(11) 0.66211(5) 0.0231(3) Uani 1 1 d . . . . .
H005 H 0.1486 0.4966 0.6630 0.028 Uiso 1 1 calc R . . . .
C006 C 0.16998(12) 0.67313(11) 0.65517(4) 0.0211(3) Uani 1 1 d . . . . .
C007 C 0.33144(13) 0.53139(12) 0.66785(4) 0.0238(3) Uani 1 1 d . . . . .
C008 C -0.03508(12) 0.75892(11) 0.67471(5) 0.0227(3) Uani 1 1 d . . . . .
C009 C 0.17279(13) 0.97777(12) 0.63468(5) 0.0256(3) Uani 1 1 d . . . . .
C00A C 0.41802(12) 0.62369(13) 0.66618(5) 0.0246(3) Uani 1 1 d . . . . .
C00B C 0.21473(12) 0.88216(12) 0.64270(5) 0.0245(3) Uani 1 1 d . . . . .
C00C C 0.38022(13) 0.73866(12) 0.65811(5) 0.0251(3) Uani 1 1 d . . . . .
H00C H 0.4389 0.8003 0.6567 0.030 Uiso 1 1 calc R . . . .
C00D C 0.25602(13) 0.76454(12) 0.65196(5) 0.0227(3) Uani 1 1 d . . . . .
C00E C 0.37417(13) 0.41360(12) 0.67458(5) 0.0265(3) Uani 1 1 d . . . . .
C00F C 0.12178(14) 1.09064(12) 0.62324(5) 0.0254(3) Uani 1 1 d . . . . .
C00G C 0.04103(16) 0.63548(13) 0.51498(5) 0.0315(3) Uani 1 1 d . . . . .
H00A H -0.0423 0.6679 0.5113 0.038 Uiso 1 1 calc R . . . .
H00B H 0.0964 0.6780 0.4935 0.038 Uiso 1 1 calc R . . . .
C00H C 0.08317(14) 0.65002(13) 0.56393(5) 0.0294(3) Uani 1 1 d . . . . .
H00H H 0.1648 0.6291 0.5714 0.035 Uiso 1 1 calc R . . . .
C00I C -0.01992(13) 0.74479(12) 0.72784(5) 0.0253(3) Uani 1 1 d . . . . .
C00J C 0.01157(13) 0.69086(12) 0.59747(5) 0.0248(3) Uani 1 1 d . . . . .
H00J H -0.0680 0.7162 0.5890 0.030 Uiso 1 1 calc R . . . .
C00K C 0.19607(15) 1.18197(13) 0.60679(5) 0.0319(3) Uani 1 1 d . . . . .
H00K H 0.2818 1.1708 0.6044 0.038 Uiso 1 1 calc R . . . .
C00L C -0.12607(14) 0.81051(14) 0.75102(5) 0.0319(3) Uani 1 1 d . . . . .
H00D H -0.1220 0.8943 0.7429 0.048 Uiso 1 1 calc GR . . . .
H00E H -0.1203 0.8016 0.7848 0.048 Uiso 1 1 calc GR . . . .
H00F H -0.2037 0.7775 0.7402 0.048 Uiso 1 1 calc GR . . . .
C00M C 0.41824(13) 0.31844(13) 0.68102(5) 0.0279(3) Uani 1 1 d . . . . .
C00N C 0.47538(14) 0.20702(13) 0.69062(5) 0.0289(3) Uani 1 1 d . . . . .
C00O C -0.00402(14) 1.10945(13) 0.62722(5) 0.0306(3) Uani 1 1 d . . . . .
H00O H -0.0553 1.0485 0.6387 0.037 Uiso 1 1 calc R . . . .
C00P C 0.20160(16) 0.51092(15) 0.44546(5) 0.0368(4) Uani 1 1 d . . . . .
H00G H 0.2201 0.4812 0.4139 0.044 Uiso 1 1 calc R . . . .
H00I H 0.2093 0.5979 0.4447 0.044 Uiso 1 1 calc R . . . .
C00Q C 0.40710(16) 0.11157(14) 0.70665(5) 0.0338(3) Uani 1 1 d . . . . .
H00Q H 0.3212 0.1187 0.7103 0.041 Uiso 1 1 calc R . . . .
C00R C 0.65349(14) 0.63883(14) 0.60549(6) 0.0357(3) Uani 1 1 d . . . . .
H00L H 0.7192 0.6913 0.5941 0.043 Uiso 1 1 calc R . . . .
H00M H 0.5779 0.6587 0.5883 0.043 Uiso 1 1 calc R . . . .
C00S C 0.41717(16) 0.52839(15) 0.47887(6) 0.0373(3) Uani 1 1 d . . . . .
H00N H 0.4495 0.5303 0.4468 0.045 Uiso 1 1 calc R . . . .
H00P H 0.4026 0.6108 0.4888 0.045 Uiso 1 1 calc R . . . .
C00T C 0.10048(14) 0.79304(15) 0.74756(5) 0.0337(3) Uani 1 1 d . . . . .
H00R H 0.1679 0.7413 0.7383 0.050 Uiso 1 1 calc GR . . . .
H00S H 0.0955 0.7960 0.7815 0.050 Uiso 1 1 calc GR . . . .
H00T H 0.1148 0.8726 0.7354 0.050 Uiso 1 1 calc GR . . . .
C00U C 0.14432(18) 1.28881(14) 0.59394(6) 0.0393(4) Uani 1 1 d . . . . .
H00U H 0.1950 1.3505 0.5827 0.047 Uiso 1 1 calc R . . . .
C00V C 0.29679(15) 0.46191(15) 0.47918(6) 0.0371(3) Uani 1 1 d . . . . .
H00V H 0.2627 0.4640 0.5110 0.045 Uiso 1 1 calc R . . . .
H00W H 0.3127 0.3784 0.4712 0.045 Uiso 1 1 calc R . . . .
C00W C -0.03311(17) 0.61289(13) 0.73953(5) 0.0352(3) Uani 1 1 d . . . . .
H00X H -0.1081 0.5822 0.7255 0.053 Uiso 1 1 calc GR . . . .
H00Y H -0.0369 0.6029 0.7733 0.053 Uiso 1 1 calc GR . . . .
H H 0.0373 0.5697 0.7272 0.053 Uiso 1 1 calc GR . . . .
C00X C 0.63347(13) 0.66148(15) 0.65644(6) 0.0339(3) Uani 1 1 d . . . . .
H00Z H 0.7093 0.6432 0.6737 0.041 Uiso 1 1 calc R . . . .
HA H 0.6144 0.7459 0.6612 0.041 Uiso 1 1 calc R . . . .
C00Y C 0.60168(15) 0.19497(16) 0.68471(6) 0.0387(4) Uani 1 1 d . . . . .
H00 H 0.6488 0.2596 0.6738 0.046 Uiso 1 1 calc R . . . .
C00Z C 0.5895(2) -0.00547(16) 0.71126(6) 0.0465(5) Uani 1 1 d . . . . .
H0AA H 0.6285 -0.0781 0.7184 0.056 Uiso 1 1 calc R . . . .
C010 C 0.4650(2) 0.00616(14) 0.71733(6) 0.0430(4) Uani 1 1 d . . . . .
H010 H 0.4187 -0.0584 0.7289 0.052 Uiso 1 1 calc R . . . .
C011 C 0.02010(18) 1.30629(14) 0.59728(6) 0.0415(4) Uani 1 1 d . . . . .
H011 H -0.0146 1.3793 0.5879 0.050 Uiso 1 1 calc R . . . .
C012 C -0.01879(18) 0.53875(16) 0.42376(6) 0.0405(4) Uani 1 1 d . . . . .
H01A H -0.1030 0.5228 0.4334 0.061 Uiso 1 1 calc GR . . . .
H01B H -0.0057 0.5077 0.3924 0.061 Uiso 1 1 calc GR . . . .
H01C H -0.0044 0.6240 0.4239 0.061 Uiso 1 1 calc GR . . . .
C013 C -0.05419(16) 1.21733(15) 0.61436(6) 0.0379(4) Uani 1 1 d . . . . .
H013 H -0.1396 1.2301 0.6173 0.045 Uiso 1 1 calc R . . . .
C014 C 0.68835(15) 0.50990(15) 0.59513(6) 0.0392(4) Uani 1 1 d . . . . .
H01D H 0.7566 0.4869 0.6158 0.047 Uiso 1 1 calc R . . . .
H01E H 0.6179 0.4587 0.6026 0.047 Uiso 1 1 calc R . . . .
C015 C 0.06922(15) 0.47928(14) 0.45732(5) 0.0314(3) Uani 1 1 d . . . . .
C016 C 0.72606(17) 0.48793(18) 0.54476(7) 0.0480(4) Uani 1 1 d . . . . .
H01F H 0.8057 0.5268 0.5393 0.058 Uiso 1 1 calc R . . . .
H01G H 0.7381 0.4021 0.5404 0.058 Uiso 1 1 calc R . . . .
C017 C 0.65770(18) 0.08838(17) 0.69484(7) 0.0472(5) Uani 1 1 d . . . . .
H017 H 0.7432 0.0798 0.6905 0.057 Uiso 1 1 calc R . . . .
C018 C 0.04909(19) 0.34642(15) 0.45731(6) 0.0422(4) Uani 1 1 d . . . . .
H01H H 0.1021 0.3098 0.4806 0.063 Uiso 1 1 calc GR . . . .
H01I H 0.0686 0.3146 0.4265 0.063 Uiso 1 1 calc GR . . . .
H01J H -0.0364 0.3294 0.4647 0.063 Uiso 1 1 calc GR . . . .
C019 C 0.63665(17) 0.53109(18) 0.50833(6) 0.0438(4) Uani 1 1 d . . . . .
H01K H 0.6721 0.5167 0.4772 0.053 Uiso 1 1 calc R . . . .
H01L H 0.6264 0.6173 0.5119 0.053 Uiso 1 1 calc R . . . .
C01A C 0.51154(17) 0.47337(17) 0.51048(7) 0.0461(4) Uani 1 1 d . . . . .
H01M H 0.5202 0.3891 0.5022 0.055 Uiso 1 1 calc R . . . .
H01N H 0.4814 0.4773 0.5429 0.055 Uiso 1 1 calc R . . . .


_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 C008 1.2169(17) . ?
O002 C00G 1.4260(17) . ?
O002 C015 1.4475(17) . ?
O003 C00A 1.3548(17) . ?
O003 C00X 1.4405(19) . ?
N004 C006 1.4393(17) . ?
N004 C008 1.3947(17) . ?
N004 C00J 1.4142(17) . ?
C005 C006 1.3824(18) . ?
C005 C007 1.4012(19) . ?
C006 C00D 1.4041(18) . ?
C007 C00A 1.413(2) . ?
C007 C00E 1.4288(19) . ?
C008 C00I 1.5464(18) . ?
C009 C00B 1.200(2) . ?
C009 C00F 1.4351(19) . ?
C00A C00C 1.3877(19) . ?
C00B C00D 1.4336(19) . ?
C00C C00D 1.4028(19) . ?
C00E C00M 1.197(2) . ?
C00F C00K 1.400(2) . ?
C00F C00O 1.399(2) . ?
C00G C00H 1.492(2) . ?
C00H C00J 1.327(2) . ?
C00I C00L 1.5337(19) . ?
C00I C00T 1.536(2) . ?
C00I C00W 1.5401(19) . ?
C00K C00U 1.388(2) . ?
C00M C00N 1.4370(19) . ?
C00N C00Q 1.394(2) . ?
C00N C00Y 1.400(2) . ?
C00O C013 1.391(2) . ?
C00P C00V 1.529(2) . ?
C00P C015 1.532(2) . ?
C00Q C010 1.388(2) . ?
C00R C00X 1.505(2) . ?
C00R C014 1.540(2) . ?
C00S C00V 1.519(2) . ?
C00S C01A 1.512(3) . ?
C00U C011 1.378(3) . ?
C00Y C017 1.387(2) . ?
C00Z C010 1.381(3) . ?
C00Z C017 1.383(3) . ?
C011 C013 1.386(3) . ?
C012 C015 1.522(2) . ?
C014 C016 1.528(3) . ?
C015 C018 1.523(2) . ?
C016 C019 1.516(3) . ?
C019 C01A 1.520(3) . ?

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
C00G O002 C015 116.75(11) . . ?
C00A O003 C00X 119.48(11) . . ?
C008 N004 C006 124.79(11) . . ?
C008 N004 C00J 117.99(11) . . ?
C00J N004 C006 115.25(11) . . ?
C006 C005 C007 120.57(12) . . ?
C005 C006 N004 120.74(12) . . ?
C005 C006 C00D 120.48(12) . . ?
C00D C006 N004 118.26(11) . . ?
C005 C007 C00A 119.10(12) . . ?
C005 C007 C00E 122.37(13) . . ?
C00A C007 C00E 118.52(13) . . ?
O001 C008 N004 119.45(12) . . ?
O001 C008 C00I 120.68(12) . . ?
N004 C008 C00I 119.46(11) . . ?
C00B C009 C00F 177.75(15) . . ?
O003 C00A C007 115.02(12) . . ?
O003 C00A C00C 124.85(13) . . ?
C00C C00A C007 120.10(13) . . ?
C009 C00B C00D 175.83(15) . . ?
C00A C00C C00D 120.47(13) . . ?
C006 C00D C00B 119.18(12) . . ?
C00C C00D C006 119.21(12) . . ?
C00C C00D C00B 121.61(12) . . ?
C00M C00E C007 175.13(16) . . ?
C00K C00F C009 120.76(14) . . ?
C00O C00F C009 120.04(13) . . ?
C00O C00F C00K 119.17(14) . . ?
O002 C00G C00H 107.58(12) . . ?
C00J C00H C00G 122.87(14) . . ?
C00L C00I C008 107.36(12) . . ?
C00L C00I C00T 108.48(12) . . ?
C00L C00I C00W 107.81(12) . . ?
C00T C00I C008 114.86(11) . . ?
C00T C00I C00W 110.23(13) . . ?
C00W C00I C008 107.86(11) . . ?
C00H C00J N004 125.18(13) . . ?
C00U C00K C00F 119.92(15) . . ?
C00E C00M C00N 176.90(16) . . ?
C00Q C00N C00M 120.85(14) . . ?
C00Q C00N C00Y 119.62(15) . . ?
C00Y C00N C00M 119.52(15) . . ?
C013 C00O C00F 120.08(15) . . ?
C00V C00P C015 114.75(13) . . ?
C010 C00Q C00N 119.80(16) . . ?
C00X C00R C014 112.76(14) . . ?
C01A C00S C00V 112.65(14) . . ?
C011 C00U C00K 120.67(16) . . ?
C00S C00V C00P 114.06(14) . . ?
O003 C00X C00R 111.16(13) . . ?
C017 C00Y C00N 119.77(18) . . ?
C010 C00Z C017 120.18(16) . . ?
C00Z C010 C00Q 120.36(18) . . ?
C00U C011 C013 119.96(15) . . ?
C011 C013 C00O 120.17(16) . . ?
C016 C014 C00R 113.92(15) . . ?
O002 C015 C00P 110.31(12) . . ?
O002 C015 C012 110.52(13) . . ?
O002 C015 C018 103.13(12) . . ?
C012 C015 C00P 110.74(13) . . ?
C012 C015 C018 110.28(14) . . ?
C018 C015 C00P 111.64(15) . . ?
C019 C016 C014 115.39(15) . . ?
C00Z C017 C00Y 120.25(18) . . ?
C016 C019 C01A 114.54(16) . . ?
C00S C01A C019 114.47(16) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
