# Electronic Supplementary Material (ESI) for Chemical Science.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lll00011_0m
_database_code_depnum_ccdc_archive 'CCDC 2312601'
loop_
_audit_author_name
_audit_author_address
'Longlong Li'
;Fuzhou University
China
;
_audit_update_record             
;
2023-12-07 deposited with the CCDC.	2024-04-09 downloaded from the CCDC.
;
_audit_creation_date             2023-12-06
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H27 B O3 P2'
_chemical_formula_sum            'C22 H27 B O3 P2'
_chemical_formula_weight         412.18
_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 0.0033 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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   10.778(2)
_cell_length_b                   9.8031(17)
_cell_length_c                   11.594(3)
_cell_angle_alpha                90
_cell_angle_beta                 117.183(7)
_cell_angle_gamma                90
_cell_volume                     1089.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9583
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      29.013
_cell_measurement_theta_min      2.879
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.968
_exptl_absorpt_coefficient_mu    0.219
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6499
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.014
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.842
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20561
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.751
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.890
_diffrn_reflns_theta_min         1.975
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'BrukerD8 venture microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.697
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.650
_reflns_number_gt                4743
_reflns_number_total             5636
_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 (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.078
_refine_ls_abs_structure_details 
;
 Flack x determined using 1839 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5636
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0358
_refine_ls_restrained_S_all      1.072
_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)+(0.0470P)²+0.2648P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.1020
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00J(H00J)
2.b Aromatic/amide H refined with riding coordinates:
 C007(H007), C008(H008), C009(H009), C00C(H00C), C00D(H00D), C00E(H00E),
 C00F(H00F), C00G(H00G), C00H(H00H), C00K(H00K), C00L(H00L), C00N(H00P),
 C00O(H00Q), C00P(H00R), C00Q(H00S)
2.c Idealised Me refined as rotating group:
 C00I(H00A,H00B,H00I), C00M(H00M,H00N,H00O), C00S(H00V,H00W,H00X)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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
P001 P 0.55970(7) 0.65643(7) 0.74104(7) 0.02170(17) Uani 1 1 d . . . . .
P002 P 0.17636(7) 0.37864(8) 0.54150(6) 0.01817(16) Uani 1 1 d . . . . .
O003 O 0.6376(2) 0.6355(2) 0.6660(2) 0.0325(5) Uani 1 1 d . . . . .
O004 O 0.6554(2) 0.6611(3) 0.89401(19) 0.0343(5) Uani 1 1 d . . . . .
O005 O 0.4836(2) 0.8008(2) 0.7158(2) 0.0291(5) Uani 1 1 d . . . . .
C006 C 0.4954(3) 0.3946(3) 0.7840(2) 0.0214(6) Uani 1 1 d . . . . .
C007 C 0.4630(3) 0.3313(3) 0.8751(3) 0.0269(6) Uani 1 1 d . . . . .
H007 H 0.408903 0.377752 0.905873 0.032 Uiso 1 1 calc R U . . .
C008 C -0.0609(3) 0.2982(4) 0.7282(3) 0.0307(7) Uani 1 1 d . . . . .
H008 H -0.109077 0.224749 0.739132 0.037 Uiso 1 1 calc R U . . .
C009 C 0.0167(3) 0.2805(3) 0.6610(3) 0.0258(6) Uani 1 1 d . . . . .
H009 H 0.021163 0.195065 0.628239 0.031 Uiso 1 1 calc R U . . .
C00A C 0.0881(3) 0.3908(3) 0.6424(2) 0.0198(5) Uani 1 1 d . . . . .
C00B C 0.0389(3) 0.3955(3) 0.3742(2) 0.0199(5) Uani 1 1 d . . . . .
C00C C -0.1033(3) 0.3877(3) 0.3418(3) 0.0248(6) Uani 1 1 d . . . . .
H00C H -0.130609 0.375876 0.406556 0.030 Uiso 1 1 calc R U . . .
C00D C 0.5799(3) 0.3222(3) 0.7420(3) 0.0274(6) Uani 1 1 d . . . . .
H00D H 0.604778 0.362276 0.682867 0.033 Uiso 1 1 calc R U . . .
C00E C 0.0781(3) 0.4134(3) 0.2758(3) 0.0259(7) Uani 1 1 d . . . . .
H00E H 0.172101 0.418012 0.296168 0.031 Uiso 1 1 calc R U . . .
C00F C 0.0836(3) 0.5175(3) 0.6961(3) 0.0277(6) Uani 1 1 d . . . . .
H00F H 0.132143 0.591135 0.686113 0.033 Uiso 1 1 calc R U . . .
C00G C -0.1640(3) 0.4161(3) 0.1153(3) 0.0335(8) Uani 1 1 d . . . . .
H00G H -0.231239 0.422843 0.029234 0.040 Uiso 1 1 calc R U . . .
C00H C -0.0671(3) 0.4249(4) 0.7791(3) 0.0306(7) Uani 1 1 d . . . . .
H00H H -0.120461 0.436588 0.822722 0.037 Uiso 1 1 calc R U . . .
C00I C 0.2378(3) 0.2047(3) 0.5513(3) 0.0236(6) Uani 1 1 d . . . . .
H00A H 0.302441 0.183804 0.639447 0.035 Uiso 1 1 calc R U . . .
H00B H 0.283555 0.195029 0.497458 0.035 Uiso 1 1 calc R U . . .
H00I H 0.160088 0.143153 0.522050 0.035 Uiso 1 1 calc R U . . .
C00J C 0.4319(3) 0.5320(3) 0.7267(3) 0.0202(6) Uani 1 1 d . . . . .
H00J H 0.385345 0.566013 0.776466 0.024 Uiso 1 1 calc R U . . .
C00K C -0.0235(3) 0.4244(4) 0.1471(3) 0.0331(7) Uani 1 1 d . . . . .
H00K H 0.003079 0.437329 0.082017 0.040 Uiso 1 1 calc R U . . .
C00L C -0.2038(3) 0.3978(4) 0.2124(3) 0.0322(7) Uani 1 1 d . . . . .
H00L H -0.297937 0.392273 0.191212 0.039 Uiso 1 1 calc R U . . .
C00M C 0.4379(3) 0.8702(4) 0.5928(3) 0.0362(7) Uani 1 1 d . . . . .
H00M H 0.345827 0.839943 0.533699 0.054 Uiso 1 1 calc R U . . .
H00N H 0.500913 0.849752 0.557550 0.054 Uiso 1 1 calc R U . . .
H00O H 0.436814 0.966841 0.605635 0.054 Uiso 1 1 calc R U . . .
C00N C 0.0066(3) 0.5337(4) 0.7645(3) 0.0338(7) Uani 1 1 d . . . . .
H00P H 0.004708 0.617985 0.800541 0.041 Uiso 1 1 calc R U . . .
C00O C 0.5911(4) 0.1298(4) 0.8761(3) 0.0407(8) Uani 1 1 d . . . . .
H00Q H 0.621308 0.041724 0.905151 0.049 Uiso 1 1 calc R U . . .
C00P C 0.6267(3) 0.1919(4) 0.7877(3) 0.0372(8) Uani 1 1 d . . . . .
H00R H 0.682560 0.145658 0.758809 0.045 Uiso 1 1 calc R U . . .
C00Q C 0.5100(4) 0.2003(4) 0.9206(3) 0.0366(8) Uani 1 1 d . . . . .
H00S H 0.486909 0.160166 0.980895 0.044 Uiso 1 1 calc R U . . .
B00R B 0.3125(3) 0.5234(4) 0.5735(3) 0.0221(7) Uani 1 1 d . . . . .
C00S C 0.7810(4) 0.7419(4) 0.9482(4) 0.0434(9) Uani 1 1 d . . . . .
H00V H 0.758448 0.835086 0.921258 0.065 Uiso 1 1 calc R U . . .
H00W H 0.844602 0.707515 0.918202 0.065 Uiso 1 1 calc R U . . .
H00X H 0.823609 0.736904 1.041054 0.065 Uiso 1 1 calc R U . . .
H00T H 0.352(4) 0.495(4) 0.505(3) 0.041(10) Uiso 1 1 d . . . . .
H00U H 0.246(3) 0.619(3) 0.535(3) 0.023(8) Uiso 1 1 d . . . . .


_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
P001 O003 1.473(2) . ?
P001 O004 1.594(2) . ?
P001 O005 1.595(2) . ?
P001 C00J 1.789(3) . ?
P002 C00A 1.818(3) . ?
P002 C00B 1.833(3) . ?
P002 C00I 1.814(3) . ?
P002 B00R 1.951(3) . ?
O004 C00S 1.441(4) . ?
O005 C00M 1.448(4) . ?
C006 C007 1.400(4) . ?
C006 C00D 1.405(4) . ?
C006 C00J 1.519(4) . ?
C007 H007 0.9300 . ?
C007 C00Q 1.393(5) . ?
C008 H008 0.9300 . ?
C008 C009 1.390(4) . ?
C008 C00H 1.390(5) . ?
C009 H009 0.9300 . ?
C009 C00A 1.400(4) . ?
C00A C00F 1.400(4) . ?
C00B C00C 1.403(4) . ?
C00B C00E 1.398(4) . ?
C00C H00C 0.9300 . ?
C00C C00L 1.396(4) . ?
C00D H00D 0.9300 . ?
C00D C00P 1.386(5) . ?
C00E H00E 0.9300 . ?
C00E C00K 1.395(4) . ?
C00F H00F 0.9300 . ?
C00F C00N 1.394(4) . ?
C00G H00G 0.9300 . ?
C00G C00K 1.388(5) . ?
C00G C00L 1.388(5) . ?
C00H H00H 0.9300 . ?
C00H C00N 1.386(5) . ?
C00I H00A 0.9600 . ?
C00I H00B 0.9600 . ?
C00I H00I 0.9600 . ?
C00J H00J 0.9800 . ?
C00J B00R 1.653(4) . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00M H00M 0.9600 . ?
C00M H00N 0.9600 . ?
C00M H00O 0.9600 . ?
C00N H00P 0.9300 . ?
C00O H00Q 0.9300 . ?
C00O C00P 1.389(5) . ?
C00O C00Q 1.385(5) . ?
C00P H00R 0.9300 . ?
C00Q H00S 0.9300 . ?
B00R H00T 1.10(4) . ?
B00R H00U 1.14(3) . ?
C00S H00V 0.9600 . ?
C00S H00W 0.9600 . ?
C00S H00X 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
O003 P001 O004 114.04(13) . . ?
O003 P001 O005 113.55(13) . . ?
O003 P001 C00J 118.18(14) . . ?
O004 P001 O005 101.28(13) . . ?
O004 P001 C00J 101.67(13) . . ?
O005 P001 C00J 106.15(13) . . ?
C00A P002 C00B 105.50(12) . . ?
C00A P002 B00R 113.53(14) . . ?
C00B P002 B00R 108.05(13) . . ?
C00I P002 C00A 107.77(14) . . ?
C00I P002 C00B 104.26(13) . . ?
C00I P002 B00R 116.75(15) . . ?
C00S O004 P001 120.1(2) . . ?
C00M O005 P001 120.8(2) . . ?
C007 C006 C00D 117.5(3) . . ?
C007 C006 C00J 120.3(3) . . ?
C00D C006 C00J 122.0(3) . . ?
C006 C007 H007 119.3 . . ?
C00Q C007 C006 121.4(3) . . ?
C00Q C007 H007 119.3 . . ?
C009 C008 H008 119.7 . . ?
C00H C008 H008 119.7 . . ?
C00H C008 C009 120.5(3) . . ?
C008 C009 H009 119.9 . . ?
C008 C009 C00A 120.2(3) . . ?
C00A C009 H009 119.9 . . ?
C009 C00A P002 122.3(2) . . ?
C00F C00A P002 118.6(2) . . ?
C00F C00A C009 118.9(3) . . ?
C00C C00B P002 122.3(2) . . ?
C00E C00B P002 118.4(2) . . ?
C00E C00B C00C 119.3(2) . . ?
C00B C00C H00C 120.0 . . ?
C00L C00C C00B 120.0(3) . . ?
C00L C00C H00C 120.0 . . ?
C006 C00D H00D 119.6 . . ?
C00P C00D C006 120.9(3) . . ?
C00P C00D H00D 119.6 . . ?
C00B C00E H00E 120.0 . . ?
C00K C00E C00B 120.0(3) . . ?
C00K C00E H00E 120.0 . . ?
C00A C00F H00F 119.8 . . ?
C00N C00F C00A 120.3(3) . . ?
C00N C00F H00F 119.8 . . ?
C00K C00G H00G 120.1 . . ?
C00K C00G C00L 119.8(3) . . ?
C00L C00G H00G 120.1 . . ?
C008 C00H H00H 120.2 . . ?
C00N C00H C008 119.6(3) . . ?
C00N C00H H00H 120.2 . . ?
P002 C00I H00A 109.5 . . ?
P002 C00I H00B 109.5 . . ?
P002 C00I H00I 109.5 . . ?
H00A C00I H00B 109.5 . . ?
H00A C00I H00I 109.5 . . ?
H00B C00I H00I 109.5 . . ?
P001 C00J H00J 107.1 . . ?
C006 C00J P001 112.94(18) . . ?
C006 C00J H00J 107.1 . . ?
C006 C00J B00R 113.5(2) . . ?
B00R C00J P001 108.86(18) . . ?
B00R C00J H00J 107.1 . . ?
C00E C00K H00K 119.7 . . ?
C00G C00K C00E 120.5(3) . . ?
C00G C00K H00K 119.7 . . ?
C00C C00L H00L 119.8 . . ?
C00G C00L C00C 120.4(3) . . ?
C00G C00L H00L 119.8 . . ?
O005 C00M H00M 109.5 . . ?
O005 C00M H00N 109.5 . . ?
O005 C00M H00O 109.5 . . ?
H00M C00M H00N 109.5 . . ?
H00M C00M H00O 109.5 . . ?
H00N C00M H00O 109.5 . . ?
C00F C00N H00P 119.8 . . ?
C00H C00N C00F 120.3(3) . . ?
C00H C00N H00P 119.8 . . ?
C00P C00O H00Q 120.3 . . ?
C00Q C00O H00Q 120.3 . . ?
C00Q C00O C00P 119.3(3) . . ?
C00D C00P C00O 120.7(3) . . ?
C00D C00P H00R 119.6 . . ?
C00O C00P H00R 119.6 . . ?
C007 C00Q H00S 120.0 . . ?
C00O C00Q C007 120.1(3) . . ?
C00O C00Q H00S 120.0 . . ?
P002 B00R H00T 100(2) . . ?
P002 B00R H00U 103.9(16) . . ?
C00J B00R P002 112.98(19) . . ?
C00J B00R H00T 115.1(19) . . ?
C00J B00R H00U 114.7(16) . . ?
H00T B00R H00U 108(3) . . ?
O004 C00S H00V 109.5 . . ?
O004 C00S H00W 109.5 . . ?
O004 C00S H00X 109.5 . . ?
H00V C00S H00W 109.5 . . ?
H00V C00S H00X 109.5 . . ?
H00W C00S H00X 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
P001 C00J B00R P002 174.42(16) . . . . ?
P002 C00A C00F C00N 174.4(2) . . . . ?
P002 C00B C00C C00L -178.4(3) . . . . ?
P002 C00B C00E C00K 179.0(3) . . . . ?
O003 P001 O004 C00S 46.3(3) . . . . ?
O003 P001 O005 C00M 28.5(3) . . . . ?
O003 P001 C00J C006 67.3(2) . . . . ?
O003 P001 C00J B00R -59.7(2) . . . . ?
O004 P001 O005 C00M 151.2(2) . . . . ?
O004 P001 C00J C006 -58.4(2) . . . . ?
O004 P001 C00J B00R 174.64(19) . . . . ?
O005 P001 O004 C00S -76.1(3) . . . . ?
O005 P001 C00J C006 -163.90(19) . . . . ?
O005 P001 C00J B00R 69.1(2) . . . . ?
C006 C007 C00Q C00O 0.2(5) . . . . ?
C006 C00D C00P C00O 0.0(5) . . . . ?
C006 C00J B00R P002 47.7(3) . . . . ?
C007 C006 C00D C00P 1.3(4) . . . . ?
C007 C006 C00J P001 127.3(2) . . . . ?
C007 C006 C00J B00R -108.2(3) . . . . ?
C008 C009 C00A P002 -173.5(2) . . . . ?
C008 C009 C00A C00F 2.0(4) . . . . ?
C008 C00H C00N C00F 1.8(5) . . . . ?
C009 C008 C00H C00N -1.1(5) . . . . ?
C009 C00A C00F C00N -1.4(4) . . . . ?
C00A P002 C00B C00C -12.3(3) . . . . ?
C00A P002 C00B C00E 169.2(2) . . . . ?
C00A C00F C00N C00H -0.5(5) . . . . ?
C00B P002 C00A C009 79.7(2) . . . . ?
C00B P002 C00A C00F -95.9(2) . . . . ?
C00B C00C C00L C00G -0.3(5) . . . . ?
C00B C00E C00K C00G -0.7(5) . . . . ?
C00C C00B C00E C00K 0.5(5) . . . . ?
C00D C006 C007 C00Q -1.4(4) . . . . ?
C00D C006 C00J P001 -57.2(3) . . . . ?
C00D C006 C00J B00R 67.4(3) . . . . ?
C00E C00B C00C C00L 0.0(5) . . . . ?
C00H C008 C009 C00A -0.8(4) . . . . ?
C00I P002 C00A C009 -31.3(3) . . . . ?
C00I P002 C00A C00F 153.1(2) . . . . ?
C00I P002 C00B C00C 101.1(3) . . . . ?
C00I P002 C00B C00E -77.4(3) . . . . ?
C00J P001 O004 C00S 174.6(3) . . . . ?
C00J P001 O005 C00M -103.0(2) . . . . ?
C00J C006 C007 C00Q 174.3(3) . . . . ?
C00J C006 C00D C00P -174.4(3) . . . . ?
C00K C00G C00L C00C 0.0(5) . . . . ?
C00L C00G C00K C00E 0.5(5) . . . . ?
C00P C00O C00Q C007 1.1(5) . . . . ?
C00Q C00O C00P C00D -1.2(5) . . . . ?
B00R P002 C00A C009 -162.2(2) . . . . ?
B00R P002 C00A C00F 22.2(3) . . . . ?
B00R P002 C00B C00C -134.1(3) . . . . ?
B00R P002 C00B C00E 47.5(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
