# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_0325_6_0m
_database_code_depnum_ccdc_archive 'CCDC 2115929'
loop_
_audit_author_name
_audit_author_address
'Pallavicinin B'
;Shandong University
China
;
_audit_update_record             
;
2021-10-15 deposited with the CCDC.	2022-02-16 downloaded from the CCDC.
;
_audit_creation_date             2021-03-26
_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        ?
_chemical_formula_moiety         'C40 H52 O8'
_chemical_formula_sum            'C40 H52 O8'
_chemical_formula_weight         660.81
_chemical_absolute_configuration ad
_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      tetragonal
_space_group_IT_number           77
_space_group_name_H-M_alt        'P 42'
_space_group_name_Hall           'P 4c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z+1/2'
'y, -x, z+1/2'

_cell_length_a                   19.8464(13)
_cell_length_b                   19.8464(13)
_cell_length_c                   8.8207(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3474.3(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9780
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.11
_cell_measurement_theta_min      3.15
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.873
_exptl_absorpt_coefficient_mu    0.698
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.6501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1638 before and 0.0849 after correction.
The Ratio of minimum to maximum transmission is 0.8624.
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    1.263
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0757
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            32931
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         74.463
_diffrn_reflns_theta_min         2.226
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_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         0.824
_reflns_Friedel_fraction_full    0.968
_reflns_Friedel_fraction_max     0.941
_reflns_number_gt                5498
_reflns_number_total             6903
_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 v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_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         0.231
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details 
;
 Flack x determined using 2025 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.17(14)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         6903
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0477
_refine_ls_restrained_S_all      1.080
_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)+(0.0389P)²+1.1245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1053
_refine_ls_wR_factor_ref         0.1217
_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, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C008(H008), C00B(H00B), C00C(H00C), C00E(H00E), C00I(H00I), C00K(H00K),
 C00L(H00L), C00Q(H00Q), C00T(H00T), C013(H013)
2.b Secondary CH2 refined with riding coordinates:
 C00G(H00D,H00F), C00X(H00Y,H), C015(H01D,H01E), C019(H01I,H01J)
2.c Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00W(H00X), C00Z(H00), C011(H011)
2.d X=CH2 refined with riding coordinates:
 C01A(H01K,H01L), C01C(H01P,H01Q)
2.e Idealised Me refined as rotating group:
 C00M(H00G,H00H,H00J), C00R(H00M,H00N,H00O), C00S(H00P,H00R,H00S), C00U(H00U,
 H00V,H00W), C00Y(H00Z,HA,HB), C012(H01A,H01B,H01C), C018(H01F,H01G,H01H),
 C01B(H01M,H01N,H01O)
2.f Idealised tetrahedral OH refined as rotating group:
 O002(H002), O005(H005)
;
_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 0.73385(12) 0.33156(13) 0.7763(3) 0.0408(6) Uani 1 1 d . . . . .
O002 O 0.89718(12) 0.26393(13) 0.1602(3) 0.0465(6) Uani 1 1 d . . . . .
H002 H 0.884763 0.288692 0.088156 0.070 Uiso 1 1 calc GR . . . .
O003 O 0.92229(14) 0.40156(13) 0.2540(3) 0.0518(7) Uani 1 1 d . . . . .
O004 O 0.91616(15) 0.11311(14) 0.1455(3) 0.0541(7) Uani 1 1 d . . . . .
O005 O 0.65315(16) 0.37249(14) 0.3667(4) 0.0566(8) Uani 1 1 d . . . . .
H005 H 0.635614 0.381260 0.282317 0.085 Uiso 1 1 calc GR . . . .
O006 O 0.82424(14) 0.32702(16) 0.9272(3) 0.0572(8) Uani 1 1 d . . . . .
O007 O 0.90928(17) 0.51228(16) 0.2138(5) 0.0830(13) Uani 1 1 d . . . . .
C008 C 0.98493(17) 0.30550(17) 0.3343(4) 0.0356(8) Uani 1 1 d . . . . .
H008 H 1.025863 0.333734 0.316083 0.043 Uiso 1 1 calc R . . . .
C009 C 0.83387(16) 0.36705(17) 0.6678(5) 0.0378(8) Uani 1 1 d . . . . .
C00A C 0.78604(17) 0.37475(17) 0.5628(5) 0.0382(8) Uani 1 1 d . . . . .
H00A H 0.793181 0.393408 0.464926 0.046 Uiso 1 1 calc R . . . .
C00B C 0.94580(18) 0.20685(17) 0.5070(4) 0.0351(8) Uani 1 1 d . . . . .
H00B H 0.907132 0.239124 0.510480 0.042 Uiso 1 1 calc R . . . .
C00C C 0.92944(17) 0.35392(17) 0.3819(4) 0.0372(8) Uani 1 1 d . . . . .
H00C H 0.886385 0.328418 0.395204 0.045 Uiso 1 1 calc R . . . .
C00D C 0.94193(18) 0.14966(18) 0.2402(5) 0.0392(8) Uani 1 1 d . . . . .
C00E C 0.71974(17) 0.34994(18) 0.6205(4) 0.0366(8) Uani 1 1 d . . . . .
H00E H 0.685393 0.386773 0.616610 0.044 Uiso 1 1 calc R . . . .
C00F C 1.00742(16) 0.24768(17) 0.4442(4) 0.0351(8) Uani 1 1 d . . . . .
C00G C 1.04693(17) 0.20396(18) 0.3305(5) 0.0409(9) Uani 1 1 d . . . . .
H00D H 1.089201 0.226386 0.298801 0.049 Uiso 1 1 calc R . . . .
H00F H 1.057785 0.159301 0.374133 0.049 Uiso 1 1 calc R . . . .
C00H C 0.80048(18) 0.34006(19) 0.8051(5) 0.0423(9) Uani 1 1 d . . . . .
C00I C 0.99785(18) 0.19756(18) 0.1980(5) 0.0402(8) Uani 1 1 d . . . . .
H00I H 1.021438 0.182629 0.103651 0.048 Uiso 1 1 calc R . . . .
O00J O 0.51042(19) 0.3291(3) 0.2998(4) 0.1140(18) Uani 1 1 d . . . . .
C00K C 0.69387(17) 0.28743(18) 0.5375(4) 0.0360(8) Uani 1 1 d . . . . .
H00K H 0.733557 0.256801 0.526109 0.043 Uiso 1 1 calc R . . . .
C00L C 0.58047(17) 0.29133(19) 0.6802(4) 0.0384(8) Uani 1 1 d . . . . .
H00L H 0.602415 0.334844 0.708989 0.046 Uiso 1 1 calc R . . . .
C00M C 0.84439(17) 0.14084(19) 0.4154(5) 0.0421(9) Uani 1 1 d . . . . .
H00G H 0.830478 0.138581 0.521916 0.063 Uiso 1 1 calc GR . . . .
H00H H 0.828803 0.100421 0.362133 0.063 Uiso 1 1 calc GR . . . .
H00J H 0.824654 0.180907 0.368048 0.063 Uiso 1 1 calc GR . . . .
C00N C 0.96876(17) 0.27011(18) 0.1803(5) 0.0387(8) Uani 1 1 d . . . . .
C00O C 0.66826(18) 0.30174(18) 0.3749(4) 0.0400(8) Uani 1 1 d . . . . .
C00P C 0.92141(17) 0.14495(16) 0.4064(4) 0.0358(8) Uani 1 1 d . . . . .
C00Q C 0.90832(17) 0.38131(19) 0.6741(5) 0.0419(9) Uani 1 1 d . . . . .
H00Q H 0.931261 0.340664 0.716835 0.050 Uiso 1 1 calc R . . . .
C00R C 1.05496(18) 0.27291(19) 0.5691(5) 0.0438(9) Uani 1 1 d . . . . .
H00M H 1.089222 0.302417 0.524415 0.066 Uiso 1 1 calc GR . . . .
H00N H 1.076969 0.234340 0.617660 0.066 Uiso 1 1 calc GR . . . .
H00O H 1.029064 0.298070 0.644829 0.066 Uiso 1 1 calc GR . . . .
C00S C 0.6673(2) 0.1981(2) 0.7371(5) 0.0515(10) Uani 1 1 d . . . . .
H00P H 0.707529 0.175713 0.696923 0.077 Uiso 1 1 calc GR . . . .
H00R H 0.633613 0.164135 0.764593 0.077 Uiso 1 1 calc GR . . . .
H00S H 0.679494 0.224322 0.827215 0.077 Uiso 1 1 calc GR . . . .
C00T C 0.94176(19) 0.39823(17) 0.5221(5) 0.0416(9) Uani 1 1 d . . . . .
H00T H 0.991513 0.400421 0.539359 0.050 Uiso 1 1 calc R . . . .
C00U C 1.0014(2) 0.3057(2) 0.0458(5) 0.0499(10) Uani 1 1 d . . . . .
H00U H 0.988878 0.282577 -0.048263 0.075 Uiso 1 1 calc GR . . . .
H00V H 1.050531 0.304859 0.057379 0.075 Uiso 1 1 calc GR . . . .
H00W H 0.985868 0.352529 0.041732 0.075 Uiso 1 1 calc GR . . . .
C00V C 0.63816(18) 0.24509(18) 0.6167(4) 0.0370(8) Uani 1 1 d . . . . .
C00W C 0.8954(2) 0.5153(2) 0.5569(7) 0.0619(13) Uani 1 1 d . . . . .
H00X H 0.882059 0.556899 0.512634 0.074 Uiso 1 1 calc R . . . .
C00X C 0.6132(2) 0.2041(2) 0.4806(5) 0.0478(10) Uani 1 1 d . . . . .
H00Y H 0.647218 0.170694 0.447845 0.057 Uiso 1 1 calc R . . . .
H H 0.570463 0.180586 0.504119 0.057 Uiso 1 1 calc R . . . .
C00Y C 0.9502(2) 0.07668(18) 0.4608(5) 0.0461(9) Uani 1 1 d . . . . .
H00Z H 0.999511 0.078585 0.460256 0.069 Uiso 1 1 calc GR . . . .
HA H 0.934927 0.040747 0.392780 0.069 Uiso 1 1 calc GR . . . .
HB H 0.934293 0.067448 0.563968 0.069 Uiso 1 1 calc GR . . . .
C00Z C 0.9558(2) 0.18238(19) 0.6674(5) 0.0478(9) Uani 1 1 d . . . . .
H00 H 0.996681 0.159745 0.690768 0.057 Uiso 1 1 calc R . . . .
C010 C 0.9168(2) 0.4664(2) 0.3024(7) 0.0593(13) Uani 1 1 d . . . . .
C011 C 0.5498(2) 0.2640(3) 0.8223(5) 0.0552(11) Uani 1 1 d . . . . .
H011 H 0.532757 0.219276 0.819682 0.066 Uiso 1 1 calc R . . . .
C012 C 0.4602(2) 0.2639(3) 0.5802(6) 0.0746(16) Uani 1 1 d . . . . .
H01A H 0.473637 0.216800 0.565978 0.112 Uiso 1 1 calc GR . . . .
H01B H 0.426860 0.276231 0.503058 0.112 Uiso 1 1 calc GR . . . .
H01C H 0.440480 0.269511 0.681240 0.112 Uiso 1 1 calc GR . . . .
C013 C 0.60286(18) 0.2585(2) 0.3610(5) 0.0468(9) Uani 1 1 d . . . . .
H013 H 0.598199 0.238573 0.257352 0.056 Uiso 1 1 calc R . . . .
C014 C 0.5228(2) 0.3100(2) 0.5647(5) 0.0517(11) Uani 1 1 d . . . . .
C015 C 0.92155(19) 0.4411(2) 0.7825(6) 0.0556(11) Uani 1 1 d . . . . .
H01D H 0.902867 0.430502 0.883774 0.067 Uiso 1 1 calc R . . . .
H01E H 0.970741 0.447780 0.793552 0.067 Uiso 1 1 calc R . . . .
C016 C 0.5436(2) 0.3019(3) 0.4003(5) 0.0628(13) Uani 1 1 d . . . . .
C017 C 0.91901(19) 0.46669(19) 0.4684(6) 0.0499(11) Uani 1 1 d . . . . .
C018 C 0.7177(2) 0.2823(2) 0.2510(5) 0.0528(10) Uani 1 1 d . . . . .
H01F H 0.699950 0.296414 0.152393 0.079 Uiso 1 1 calc GR . . . .
H01G H 0.724046 0.233283 0.251393 0.079 Uiso 1 1 calc GR . . . .
H01H H 0.761033 0.304486 0.269432 0.079 Uiso 1 1 calc GR . . . .
C019 C 0.8893(2) 0.5065(2) 0.7228(7) 0.0659(15) Uani 1 1 d . . . . .
H01I H 0.840892 0.506584 0.750347 0.079 Uiso 1 1 calc R . . . .
H01J H 0.910715 0.545340 0.773907 0.079 Uiso 1 1 calc R . . . .
C01A C 0.9115(3) 0.1904(2) 0.7768(6) 0.0674(14) Uani 1 1 d . . . . .
H01K H 0.870134 0.212811 0.757130 0.081 Uiso 1 1 calc R . . . .
H01L H 0.920898 0.173760 0.875590 0.081 Uiso 1 1 calc R . . . .
C01B C 0.5017(3) 0.3828(3) 0.5951(7) 0.0817(17) Uani 1 1 d . . . . .
H01M H 0.489919 0.387952 0.702303 0.123 Uiso 1 1 calc GR . . . .
H01N H 0.462642 0.394052 0.532122 0.123 Uiso 1 1 calc GR . . . .
H01O H 0.539151 0.413079 0.570203 0.123 Uiso 1 1 calc GR . . . .
C01C C 0.5447(3) 0.2972(4) 0.9498(6) 0.0838(17) Uani 1 1 d . . . . .
H01P H 0.561180 0.342016 0.956695 0.101 Uiso 1 1 calc R . . . .
H01Q H 0.524533 0.276444 1.035644 0.101 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 C00E 1.449(5) . ?
O001 C00H 1.357(4) . ?
O002 C00N 1.437(4) . ?
O003 C00C 1.479(4) . ?
O003 C010 1.360(5) . ?
O004 C00D 1.219(5) . ?
O005 C00O 1.438(4) . ?
O006 C00H 1.204(5) . ?
O007 C010 1.209(5) . ?
C008 C00C 1.521(5) . ?
C008 C00F 1.567(5) . ?
C008 C00N 1.563(5) . ?
C009 C00A 1.335(5) . ?
C009 C00H 1.480(6) . ?
C009 C00Q 1.505(5) . ?
C00A C00E 1.494(5) . ?
C00B C00F 1.568(5) . ?
C00B C00P 1.591(5) . ?
C00B C00Z 1.509(5) . ?
C00C C00T 1.537(5) . ?
C00D C00I 1.508(5) . ?
C00D C00P 1.524(6) . ?
C00E C00K 1.529(5) . ?
C00F C00G 1.541(5) . ?
C00F C00R 1.534(5) . ?
C00G C00I 1.526(5) . ?
C00I C00N 1.559(5) . ?
O00J C016 1.229(6) . ?
C00K C00O 1.548(5) . ?
C00K C00V 1.554(5) . ?
C00L C00V 1.571(5) . ?
C00L C011 1.495(6) . ?
C00L C014 1.575(5) . ?
C00M C00P 1.533(5) . ?
C00N C00U 1.525(5) . ?
C00O C013 1.561(5) . ?
C00O C018 1.518(6) . ?
C00P C00Y 1.547(5) . ?
C00Q C00T 1.533(6) . ?
C00Q C015 1.546(5) . ?
C00S C00V 1.528(5) . ?
C00T C017 1.508(5) . ?
C00V C00X 1.532(5) . ?
C00W C017 1.328(6) . ?
C00W C019 1.479(8) . ?
C00X C013 1.523(6) . ?
C00Z C01A 1.315(6) . ?
C010 C017 1.466(7) . ?
C011 C01C 1.308(7) . ?
C012 C014 1.549(7) . ?
C013 C016 1.498(6) . ?
C014 C016 1.516(6) . ?
C014 C01B 1.528(7) . ?
C015 C019 1.540(7) . ?

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
C00H O001 C00E 109.5(3) . . ?
C010 O003 C00C 111.9(3) . . ?
C00C C008 C00F 119.9(3) . . ?
C00C C008 C00N 112.0(3) . . ?
C00N C008 C00F 105.5(3) . . ?
C00A C009 C00H 106.9(3) . . ?
C00A C009 C00Q 134.6(4) . . ?
C00H C009 C00Q 118.5(3) . . ?
C009 C00A C00E 110.6(3) . . ?
C00F C00B C00P 116.1(3) . . ?
C00Z C00B C00F 113.3(3) . . ?
C00Z C00B C00P 108.3(3) . . ?
O003 C00C C008 105.2(3) . . ?
O003 C00C C00T 105.3(3) . . ?
C008 C00C C00T 117.9(3) . . ?
O004 C00D C00I 121.0(4) . . ?
O004 C00D C00P 120.7(3) . . ?
C00I C00D C00P 118.2(3) . . ?
O001 C00E C00A 103.6(3) . . ?
O001 C00E C00K 108.3(3) . . ?
C00A C00E C00K 113.6(3) . . ?
C008 C00F C00B 112.0(3) . . ?
C00G C00F C008 98.9(3) . . ?
C00G C00F C00B 109.6(3) . . ?
C00R C00F C008 112.3(3) . . ?
C00R C00F C00B 113.2(3) . . ?
C00R C00F C00G 109.8(3) . . ?
C00I C00G C00F 102.7(3) . . ?
O001 C00H C009 109.2(3) . . ?
O006 C00H O001 121.5(4) . . ?
O006 C00H C009 129.4(3) . . ?
C00D C00I C00G 109.5(3) . . ?
C00D C00I C00N 109.5(3) . . ?
C00G C00I C00N 103.7(3) . . ?
C00E C00K C00O 113.9(3) . . ?
C00E C00K C00V 117.6(3) . . ?
C00O C00K C00V 106.4(3) . . ?
C00V C00L C014 115.8(3) . . ?
C011 C00L C00V 112.6(3) . . ?
C011 C00L C014 109.4(3) . . ?
O002 C00N C008 110.4(3) . . ?
O002 C00N C00I 107.4(3) . . ?
O002 C00N C00U 111.3(3) . . ?
C00I C00N C008 104.6(3) . . ?
C00U C00N C008 112.4(3) . . ?
C00U C00N C00I 110.4(3) . . ?
O005 C00O C00K 107.1(3) . . ?
O005 C00O C013 111.1(3) . . ?
O005 C00O C018 110.3(3) . . ?
C00K C00O C013 104.2(3) . . ?
C018 C00O C00K 114.1(3) . . ?
C018 C00O C013 109.9(3) . . ?
C00D C00P C00B 114.1(3) . . ?
C00D C00P C00M 108.6(3) . . ?
C00D C00P C00Y 104.7(3) . . ?
C00M C00P C00B 108.4(3) . . ?
C00M C00P C00Y 107.8(3) . . ?
C00Y C00P C00B 113.0(3) . . ?
C009 C00Q C00T 115.7(3) . . ?
C009 C00Q C015 109.5(3) . . ?
C00T C00Q C015 107.4(3) . . ?
C00Q C00T C00C 120.6(3) . . ?
C017 C00T C00C 102.4(3) . . ?
C017 C00T C00Q 110.0(3) . . ?
C00K C00V C00L 111.3(3) . . ?
C00S C00V C00K 111.9(3) . . ?
C00S C00V C00L 112.6(3) . . ?
C00S C00V C00X 110.1(3) . . ?
C00X C00V C00K 99.5(3) . . ?
C00X C00V C00L 110.7(3) . . ?
C017 C00W C019 121.6(5) . . ?
C013 C00X C00V 102.2(3) . . ?
C01A C00Z C00B 124.1(4) . . ?
O003 C010 C017 108.4(4) . . ?
O007 C010 O003 121.3(5) . . ?
O007 C010 C017 130.3(5) . . ?
C01C C011 C00L 124.7(5) . . ?
C00X C013 C00O 102.9(3) . . ?
C016 C013 C00O 108.6(3) . . ?
C016 C013 C00X 110.6(4) . . ?
C012 C014 C00L 112.8(4) . . ?
C016 C014 C00L 113.3(3) . . ?
C016 C014 C012 103.9(4) . . ?
C016 C014 C01B 110.0(4) . . ?
C01B C014 C00L 107.9(4) . . ?
C01B C014 C012 108.8(4) . . ?
C019 C015 C00Q 111.4(4) . . ?
O00J C016 C013 120.4(4) . . ?
O00J C016 C014 119.9(4) . . ?
C013 C016 C014 119.7(4) . . ?
C00W C017 C00T 125.2(5) . . ?
C00W C017 C010 125.5(4) . . ?
C010 C017 C00T 108.6(4) . . ?
C00W C019 C015 113.9(4) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
