# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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. 
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data_20220606_xp_0m_5
_database_code_depnum_ccdc_archive 'CCDC 2244157'
loop_
_audit_author_name
_audit_author_address
'peng disizhang'
;Shihezi University
China
;
_audit_update_record             
;
2023-02-23 deposited with the CCDC.	2024-12-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-06
_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         'C30 H30 B O2 P'
_chemical_formula_sum            'C30 H30 B O2 P'
_chemical_formula_weight         464.32
_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           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                   12.4726(5)
_cell_length_b                   10.8930(4)
_cell_length_c                   18.9942(7)
_cell_angle_alpha                90
_cell_angle_beta                 104.916(2)
_cell_angle_gamma                90
_cell_volume                     2493.67(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8926
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.57
_shelx_estimated_absorpt_T_max   0.983
_shelx_estimated_absorpt_T_min   0.979
_exptl_absorpt_coefficient_mu    0.136
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 53827 reflections, Rint = 0.1066
 (20639 with I > 3sig(I), Rint = 0.0623)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0433
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5596
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.120
_diffrn_reflns_theta_min         2.902
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4986
_reflns_number_total             5596
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 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         0.342
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         5596
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0618
_refine_ls_restrained_S_all      1.233
_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)+(0.0057P)²+4.0003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1282
_refine_ls_wR_factor_ref         0.1415
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7143(13)
 0.2857(13)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23),
  C24(H24)
3.b Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C)
;
_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
B1 B 0.5362(3) 0.4556(3) 0.74390(19) 0.0228(7) Uani 1 1 d . . . . .
C1 C 0.2662(3) 0.5124(3) 0.51677(16) 0.0236(6) Uani 1 1 d . . . . .
C2 C 0.3211(3) 0.5041(3) 0.46164(17) 0.0297(7) Uani 1 1 d . . . . .
H2 H 0.396730 0.479798 0.473003 0.036 Uiso 1 1 calc R . . . .
C3 C 0.2655(3) 0.5311(3) 0.39031(18) 0.0326(7) Uani 1 1 d . . . . .
H3 H 0.302805 0.525085 0.352690 0.039 Uiso 1 1 calc R . . . .
C4 C 0.1555(3) 0.5668(4) 0.37413(19) 0.0377(9) Uani 1 1 d . . . . .
H4 H 0.117398 0.585565 0.325249 0.045 Uiso 1 1 calc R . . . .
C5 C 0.1009(3) 0.5753(4) 0.4281(2) 0.0417(9) Uani 1 1 d . . . . .
H5 H 0.025395 0.600257 0.416407 0.050 Uiso 1 1 calc R . . . .
C6 C 0.1555(3) 0.5474(3) 0.49979(19) 0.0326(8) Uani 1 1 d . . . . .
H6 H 0.117241 0.552382 0.536969 0.039 Uiso 1 1 calc R . . . .
C7 C 0.2452(2) 0.4913(3) 0.66554(15) 0.0220(6) Uani 1 1 d . . . . .
C8 C 0.2046(3) 0.3815(3) 0.68645(17) 0.0256(7) Uani 1 1 d . . . . .
H8 H 0.226004 0.305152 0.670118 0.031 Uiso 1 1 calc R . . . .
C9 C 0.1328(3) 0.3849(3) 0.73124(19) 0.0323(8) Uani 1 1 d . . . . .
H9 H 0.104807 0.310715 0.745887 0.039 Uiso 1 1 calc R . . . .
C10 C 0.1017(3) 0.4969(4) 0.75466(17) 0.0349(8) Uani 1 1 d . . . . .
H10 H 0.053449 0.498842 0.786006 0.042 Uiso 1 1 calc R . . . .
C11 C 0.1403(3) 0.6057(4) 0.7329(2) 0.0350(8) Uani 1 1 d . . . . .
H11 H 0.117202 0.682108 0.748149 0.042 Uiso 1 1 calc R . . . .
C12 C 0.2130(3) 0.6024(3) 0.68857(19) 0.0293(7) Uani 1 1 d . . . . .
H12 H 0.240780 0.676836 0.674024 0.035 Uiso 1 1 calc R . . . .
C13 C 0.4216(3) 0.3507(3) 0.62083(17) 0.0213(6) Uani 1 1 d . . . . .
C14 C 0.5143(3) 0.3470(3) 0.68180(16) 0.0218(6) Uani 1 1 d . . . . .
C15 C 0.5821(3) 0.2435(3) 0.68683(18) 0.0282(7) Uani 1 1 d . . . . .
H15 H 0.645325 0.236403 0.727133 0.034 Uiso 1 1 calc R . . . .
C16 C 0.5604(3) 0.1513(3) 0.6351(2) 0.0330(8) Uani 1 1 d . . . . .
H16 H 0.610076 0.083864 0.639538 0.040 Uiso 1 1 calc R . . . .
C17 C 0.4669(3) 0.1561(3) 0.5769(2) 0.0362(8) Uani 1 1 d . . . . .
H17 H 0.451011 0.090908 0.542606 0.043 Uiso 1 1 calc R . . . .
C18 C 0.3966(3) 0.2567(3) 0.56903(18) 0.0313(8) Uani 1 1 d . . . . .
H18 H 0.332648 0.261612 0.529140 0.038 Uiso 1 1 calc R . . . .
C19 C 0.4410(2) 0.6106(3) 0.63762(16) 0.0215(6) Uani 1 1 d . . . . .
C20 C 0.5282(3) 0.5867(3) 0.70012(16) 0.0214(6) Uani 1 1 d . . . . .
C21 C 0.6072(3) 0.6797(3) 0.71938(17) 0.0262(7) Uani 1 1 d . . . . .
H21 H 0.667328 0.668423 0.761231 0.031 Uiso 1 1 calc R . . . .
C22 C 0.6019(3) 0.7878(3) 0.68013(19) 0.0300(7) Uani 1 1 d . . . . .
H22 H 0.658116 0.848281 0.694938 0.036 Uiso 1 1 calc R . . . .
C23 C 0.5143(3) 0.8078(3) 0.61914(18) 0.0317(8) Uani 1 1 d . . . . .
H23 H 0.510465 0.882004 0.592328 0.038 Uiso 1 1 calc R . . . .
C24 C 0.4327(3) 0.7193(3) 0.59749(18) 0.0273(7) Uani 1 1 d . . . . .
H24 H 0.372206 0.732302 0.556092 0.033 Uiso 1 1 calc R . . . .
C25 C 0.4973(3) 0.4654(3) 0.85829(17) 0.0290(7) Uani 1 1 d . . . . .
C26 C 0.4900(3) 0.6033(3) 0.87116(19) 0.0379(9) Uani 1 1 d . . . . .
H26A H 0.536527 0.647323 0.845073 0.057 Uiso 1 1 calc GR . . . .
H26B H 0.516017 0.620567 0.923423 0.057 Uiso 1 1 calc GR . . . .
H26C H 0.412849 0.630325 0.853240 0.057 Uiso 1 1 calc GR . . . .
C27 C 0.4306(3) 0.3964(4) 0.90264(19) 0.0389(9) Uani 1 1 d . . . . .
H27A H 0.354660 0.428530 0.891104 0.058 Uiso 1 1 calc GR . . . .
H27B H 0.465413 0.407526 0.954712 0.058 Uiso 1 1 calc GR . . . .
H27C H 0.428825 0.308805 0.890611 0.058 Uiso 1 1 calc GR . . . .
C28 C 0.6190(3) 0.4194(3) 0.86906(18) 0.0304(7) Uani 1 1 d . . . . .
C29 C 0.7047(3) 0.4843(4) 0.92905(19) 0.0431(10) Uani 1 1 d . . . . .
H29A H 0.778200 0.449132 0.932482 0.065 Uiso 1 1 calc GR . . . .
H29B H 0.685632 0.473471 0.975606 0.065 Uiso 1 1 calc GR . . . .
H29C H 0.705464 0.571968 0.917725 0.065 Uiso 1 1 calc GR . . . .
C30 C 0.6299(3) 0.2805(3) 0.8818(2) 0.0399(9) Uani 1 1 d . . . . .
H30A H 0.571956 0.238200 0.845124 0.060 Uiso 1 1 calc GR . . . .
H30B H 0.621658 0.261312 0.930521 0.060 Uiso 1 1 calc GR . . . .
H30C H 0.702984 0.253286 0.877825 0.060 Uiso 1 1 calc GR . . . .
O1 O 0.44872(18) 0.4398(2) 0.78318(11) 0.0252(5) Uani 1 1 d . . . . .
O2 O 0.64188(18) 0.4463(2) 0.79984(12) 0.0275(5) Uani 1 1 d . . . . .
P1 P 0.34182(6) 0.48947(7) 0.61002(4) 0.02004(17) Uani 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
B1 C14 1.643(5) . ?
B1 C20 1.643(5) . ?
B1 O1 1.482(4) . ?
B1 O2 1.468(4) . ?
C1 C2 1.393(4) . ?
C1 C6 1.388(4) . ?
C1 P1 1.797(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.382(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.372(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.396(4) . ?
C7 C12 1.381(4) . ?
C7 P1 1.794(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.381(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.411(4) . ?
C13 C18 1.399(4) . ?
C13 P1 1.792(3) . ?
C14 C15 1.398(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.387(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.412(4) . ?
C19 C24 1.398(4) . ?
C19 P1 1.792(3) . ?
C20 C21 1.395(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.385(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.528(5) . ?
C25 C27 1.525(5) . ?
C25 C28 1.562(5) . ?
C25 O1 1.426(4) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.521(5) . ?
C28 C30 1.532(5) . ?
C28 O2 1.446(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
C20 B1 C14 106.6(2) . . ?
O1 B1 C14 105.7(3) . . ?
O1 B1 C20 113.5(3) . . ?
O2 B1 C14 115.0(3) . . ?
O2 B1 C20 110.6(3) . . ?
O2 B1 O1 105.5(2) . . ?
C2 C1 P1 119.8(2) . . ?
C6 C1 C2 119.7(3) . . ?
C6 C1 P1 120.4(2) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 H3 120.2 . . ?
C4 C3 C2 119.7(3) . . ?
C4 C3 H3 120.2 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.5(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.3(4) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.6(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C8 C7 P1 120.4(2) . . ?
C12 C7 C8 120.3(3) . . ?
C12 C7 P1 119.3(2) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.4(3) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(3) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(3) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.4(3) . . ?
C12 C11 H11 120.3 . . ?
C7 C12 C11 120.2(3) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 P1 115.6(2) . . ?
C18 C13 C14 122.9(3) . . ?
C18 C13 P1 121.4(2) . . ?
C13 C14 B1 121.2(3) . . ?
C15 C14 B1 123.1(3) . . ?
C15 C14 C13 115.7(3) . . ?
C14 C15 H15 118.9 . . ?
C16 C15 C14 122.2(3) . . ?
C16 C15 H15 118.9 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.7(3) . . ?
C18 C17 H17 120.2 . . ?
C13 C18 H18 120.6 . . ?
C17 C18 C13 118.8(3) . . ?
C17 C18 H18 120.6 . . ?
C20 C19 P1 115.7(2) . . ?
C24 C19 C20 123.2(3) . . ?
C24 C19 P1 121.0(2) . . ?
C19 C20 B1 121.3(3) . . ?
C21 C20 B1 123.5(3) . . ?
C21 C20 C19 115.2(3) . . ?
C20 C21 H21 118.5 . . ?
C22 C21 C20 122.9(3) . . ?
C22 C21 H21 118.5 . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.0 . . ?
C19 C24 H24 120.6 . . ?
C23 C24 C19 118.8(3) . . ?
C23 C24 H24 120.6 . . ?
C26 C25 C28 113.0(3) . . ?
C27 C25 C26 109.4(3) . . ?
C27 C25 C28 114.8(3) . . ?
O1 C25 C26 108.9(3) . . ?
O1 C25 C27 107.8(3) . . ?
O1 C25 C28 102.5(3) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C25 114.9(3) . . ?
C29 C28 C30 108.9(3) . . ?
C30 C28 C25 112.4(3) . . ?
O2 C28 C25 103.2(2) . . ?
O2 C28 C29 108.8(3) . . ?
O2 C28 C30 108.3(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C25 O1 B1 107.6(2) . . ?
C28 O2 B1 108.8(2) . . ?
C7 P1 C1 108.44(14) . . ?
C13 P1 C1 111.43(15) . . ?
C13 P1 C7 112.28(15) . . ?
C13 P1 C19 105.44(14) . . ?
C19 P1 C1 109.49(15) . . ?
C19 P1 C7 109.71(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7143(13)
2 0.2857(13)

