# Electronic Supplementary Material (ESI) for Materials Advances.
# 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. 
# 
#######################################################################

data_z
_audit_block_doi                 10.5517/ccdc.csd.cc26r415
_database_code_depnum_ccdc_archive 'CCDC 2048016'
loop_
_audit_author_name
_audit_author_address
'Jun Miao'
;Jilin University
China
;
_audit_update_record             
;
2021-06-01 deposited with the CCDC.	2022-02-17 downloaded from the CCDC.
;
_audit_creation_date             2021-06-01
_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         'C26 H24 B N O4'
_chemical_formula_sum            'C26 H24 B N O4'
_chemical_formula_weight         425.27
_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 0.0033 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'
N N 0.0061 0.0033 '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'

_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           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   7.4244(5)
_cell_length_b                   8.6004(6)
_cell_length_c                   9.7179(7)
_cell_angle_alpha                96.665(3)
_cell_angle_beta                 110.884(3)
_cell_angle_gamma                101.244(3)
_cell_volume                     556.84(7)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8930
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_shelx_estimated_absorpt_T_max   0.992
_shelx_estimated_absorpt_T_min   0.990
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             224
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15930
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.493
_diffrn_reflns_theta_min         3.007
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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         0.995
_reflns_Friedel_fraction_full    0.997
_reflns_Friedel_fraction_max     0.994
_reflns_number_gt                4676
_reflns_number_total             5096
_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 (?, 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    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details 
;
 Flack x determined using 2107 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         5096
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.038
_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)+(0.0495P)²+0.0616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0929
_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. Others
 Sof(O3)=Sof(O5)=Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C26)=Sof(H26A)=
 Sof(H26B)=Sof(H26C)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=Sof(C30)=Sof(H30A)=
 Sof(H30B)=Sof(H30C)=1-FVAR(1)
 Sof(O4)=Sof(O6)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=Sof(C25)=Sof(H25A)=
 Sof(H25B)=Sof(H25C)=Sof(C27)=Sof(H27A)=Sof(H27B)=Sof(H27C)=Sof(C29)=Sof(H29A)=
 Sof(H29B)=Sof(H29C)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C16(H16), C17(H17), C18(H18), C19(H19)
3.b Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C29(H29A,H29B,
 H29C), C23(H23A,H23B,H23C), C26(H26A,H26B,H26C), C28(H28A,H28B,H28C), C30(H30A,
 H30B,H30C)
;
_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
O1 O 1.0856(3) 0.0516(3) 0.1624(3) 0.0543(6) Uani 1 1 d . . . . .
O2 O 0.8454(3) -0.1494(2) 0.1340(3) 0.0500(5) Uani 1 1 d . . . . .
N1 N 0.9299(3) -0.0056(3) 0.1739(2) 0.0341(5) Uani 1 1 d . . . . .
C1 C 0.8404(3) 0.1031(3) 0.2428(3) 0.0251(5) Uani 1 1 d . . . . .
C2 C 0.9326(3) 0.2666(3) 0.2837(3) 0.0299(5) Uani 1 1 d . . . . .
H2 H 1.049520 0.308324 0.266909 0.036 Uiso 1 1 calc R . . . .
C3 C 0.8496(3) 0.3680(3) 0.3500(3) 0.0291(5) Uani 1 1 d . . . . .
H3 H 0.910554 0.480983 0.379482 0.035 Uiso 1 1 calc R . . . .
C4 C 0.6776(3) 0.3061(2) 0.3741(2) 0.0205(4) Uani 1 1 d . . . . .
C5 C 0.5898(3) 0.1401(3) 0.3317(3) 0.0252(5) Uani 1 1 d . . . . .
H5 H 0.473399 0.097139 0.348759 0.030 Uiso 1 1 calc R . . . .
C6 C 0.6709(3) 0.0369(3) 0.2648(3) 0.0258(5) Uani 1 1 d . . . . .
H6 H 0.611104 -0.076252 0.234939 0.031 Uiso 1 1 calc R . . . .
C7 C 0.5850(3) 0.4181(2) 0.4395(2) 0.0197(4) Uani 1 1 d . . . . .
C8 C 0.6231(3) 0.4439(2) 0.5937(2) 0.0199(4) Uani 1 1 d . . . . .
C9 C 0.7531(3) 0.3671(3) 0.6946(3) 0.0235(5) Uani 1 1 d . . . . .
H9 H 0.815444 0.296175 0.656657 0.028 Uiso 1 1 calc R . . . .
C10 C 0.7888(3) 0.3940(3) 0.8438(3) 0.0253(5) Uani 1 1 d . . . . .
H10 H 0.875889 0.341989 0.908621 0.030 Uiso 1 1 calc R . . . .
C11 C 0.6971(3) 0.4989(3) 0.9035(3) 0.0250(5) Uani 1 1 d . . . . .
H11 H 0.721987 0.515883 1.007649 0.030 Uiso 1 1 calc R . . . .
C12 C 0.5738(3) 0.5754(3) 0.8121(2) 0.0218(4) Uani 1 1 d . . . . .
H12 H 0.513740 0.645450 0.853806 0.026 Uiso 1 1 calc R . . . .
C13 C 0.5322(3) 0.5528(2) 0.6542(2) 0.0193(4) Uani 1 1 d . . . . .
C14 C 0.4094(3) 0.6357(2) 0.5602(2) 0.0186(4) Uani 1 1 d . . . . .
C15 C 0.3725(3) 0.6084(2) 0.4058(2) 0.0186(4) Uani 1 1 d . . . . .
C16 C 0.2460(3) 0.6876(3) 0.3050(3) 0.0219(4) Uani 1 1 d . . . . .
H16 H 0.188045 0.761831 0.343960 0.026 Uiso 1 1 calc R . . . .
C17 C 0.2066(3) 0.6594(3) 0.1552(2) 0.0248(5) Uani 1 1 d . . . . .
H17 H 0.120673 0.712655 0.090967 0.030 Uiso 1 1 calc R . . . .
C18 C 0.2938(3) 0.5504(3) 0.0946(3) 0.0245(5) Uani 1 1 d . . . . .
H18 H 0.266724 0.531762 -0.009976 0.029 Uiso 1 1 calc R . . . .
C19 C 0.4156(3) 0.4728(3) 0.1856(3) 0.0234(5) Uani 1 1 d . . . . .
H19 H 0.472723 0.400485 0.143446 0.028 Uiso 1 1 calc R . . . .
C20 C 0.4596(3) 0.4977(2) 0.3437(2) 0.0193(4) Uani 1 1 d . . . . .
C21 C 0.0938(3) 0.8625(2) 0.6946(2) 0.0205(4) Uani 1 1 d . . . . .
C22 C 0.2783(3) 1.0008(2) 0.7203(2) 0.0202(4) Uani 1 1 d . . . . .
B1 B 0.3156(3) 0.7608(3) 0.6249(3) 0.0190(5) Uani 1 1 d . . . . .
O4 O 0.3745(3) 0.9223(2) 0.6309(3) 0.0214(6) Uani 0.771(6) 1 d . . P A 1
O6 O 0.1690(3) 0.7169(2) 0.6761(3) 0.0215(6) Uani 0.771(6) 1 d . . P A 1
C24 C 0.0362(6) 0.8644(5) 0.8302(4) 0.0296(8) Uani 0.771(6) 1 d . . P A 1
H24A H -0.072963 0.769111 0.810869 0.044 Uiso 0.771(6) 1 calc GR . P A 1
H24B H -0.006980 0.962791 0.847975 0.044 Uiso 0.771(6) 1 calc GR . P A 1
H24C H 0.151549 0.862486 0.919029 0.044 Uiso 0.771(6) 1 calc GR . P A 1
C25 C -0.0835(5) 0.8489(4) 0.5539(4) 0.0249(7) Uani 0.771(6) 1 d . . P A 1
H25A H -0.042355 0.849717 0.468682 0.037 Uiso 0.771(6) 1 calc GR . P A 1
H25B H -0.141223 0.940546 0.564636 0.037 Uiso 0.771(6) 1 calc GR . P A 1
H25C H -0.183190 0.747472 0.536177 0.037 Uiso 0.771(6) 1 calc GR . P A 1
C27 C 0.4331(5) 1.0504(4) 0.8803(4) 0.0302(8) Uani 0.771(6) 1 d . . P A 1
H27A H 0.460123 0.953455 0.918871 0.045 Uiso 0.771(6) 1 calc GR . P A 1
H27B H 0.382733 1.111421 0.943669 0.045 Uiso 0.771(6) 1 calc GR . P A 1
H27C H 0.556317 1.118344 0.881593 0.045 Uiso 0.771(6) 1 calc GR . P A 1
C29 C 0.2294(5) 1.1483(4) 0.6578(4) 0.0262(7) Uani 0.771(6) 1 d . . P A 1
H29A H 0.353200 1.226530 0.672664 0.039 Uiso 0.771(6) 1 calc GR . P A 1
H29B H 0.157827 1.198310 0.710458 0.039 Uiso 0.771(6) 1 calc GR . P A 1
H29C H 0.145626 1.115160 0.550185 0.039 Uiso 0.771(6) 1 calc GR . P A 1
O3 O 0.1128(11) 0.7322(8) 0.5883(11) 0.0210(19) Uani 0.229(6) 1 d . . P A 2
O5 O 0.4187(11) 0.9087(8) 0.7164(12) 0.0230(19) Uani 0.229(6) 1 d . . P A 2
C23 C 0.0768(16) 0.7939(16) 0.8224(13) 0.026(2) Uani 0.229(6) 1 d . . P A 2
H23A H -0.042954 0.703749 0.786458 0.039 Uiso 0.229(6) 1 calc GR . P A 2
H23B H 0.067247 0.877607 0.895154 0.039 Uiso 0.229(6) 1 calc GR . P A 2
H23C H 0.194695 0.754654 0.870828 0.039 Uiso 0.229(6) 1 calc GR . P A 2
C26 C -0.1164(17) 0.9017(15) 0.6007(15) 0.029(3) Uani 0.229(6) 1 d . . P A 2
H26A H -0.109524 0.941399 0.511738 0.043 Uiso 0.229(6) 1 calc GR . P A 2
H26B H -0.141620 0.984522 0.664636 0.043 Uiso 0.229(6) 1 calc GR . P A 2
H26C H -0.224650 0.802853 0.569267 0.043 Uiso 0.229(6) 1 calc GR . P A 2
C28 C 0.352(2) 1.1067(15) 0.8833(13) 0.033(3) Uani 0.229(6) 1 d . . P A 2
H28A H 0.374018 1.036614 0.957134 0.050 Uiso 0.229(6) 1 calc GR . P A 2
H28B H 0.250501 1.162050 0.889092 0.050 Uiso 0.229(6) 1 calc GR . P A 2
H28C H 0.476784 1.187093 0.904744 0.050 Uiso 0.229(6) 1 calc GR . P A 2
C30 C 0.2531(19) 1.1046(16) 0.6066(18) 0.031(3) Uani 0.229(6) 1 d . . P A 2
H30A H 0.381061 1.181111 0.628509 0.047 Uiso 0.229(6) 1 calc GR . P A 2
H30B H 0.154752 1.164587 0.609991 0.047 Uiso 0.229(6) 1 calc GR . P A 2
H30C H 0.206881 1.036740 0.506295 0.047 Uiso 0.229(6) 1 calc GR . P A 2


_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
O1 N1 1.214(3) . ?
O2 N1 1.219(3) . ?
N1 C1 1.476(3) . ?
C1 C2 1.380(3) . ?
C1 C6 1.376(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.384(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.395(3) . ?
C4 C5 1.394(3) . ?
C4 C7 1.494(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.388(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.404(3) . ?
C7 C20 1.407(3) . ?
C8 C9 1.433(3) . ?
C8 C13 1.442(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.360(3) . ?
C10 H10 0.9500 . ?
C10 C11 1.419(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.360(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.434(3) . ?
C13 C14 1.409(3) . ?
C14 C15 1.408(3) . ?
C14 B1 1.576(3) . ?
C15 C16 1.433(3) . ?
C15 C20 1.440(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.360(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.424(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.359(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.432(3) . ?
C21 C22 1.551(3) . ?
C21 O6 1.484(3) . ?
C21 C24 1.523(4) . ?
C21 C25 1.495(4) . ?
C21 O3 1.496(7) . ?
C21 C23 1.469(11) . ?
C21 C26 1.625(12) . ?
C22 O4 1.488(3) . ?
C22 C27 1.517(4) . ?
C22 C29 1.520(4) . ?
C22 O5 1.435(7) . ?
C22 C28 1.578(11) . ?
C22 C30 1.483(13) . ?
B1 O4 1.360(3) . ?
B1 O6 1.358(3) . ?
B1 O3 1.381(8) . ?
B1 O5 1.366(8) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
O1 N1 O2 123.2(2) . . ?
O1 N1 C1 118.7(2) . . ?
O2 N1 C1 118.1(2) . . ?
C2 C1 N1 118.2(2) . . ?
C6 C1 N1 118.7(2) . . ?
C6 C1 C2 123.2(2) . . ?
C1 C2 H2 121.0 . . ?
C1 C2 C3 118.0(2) . . ?
C3 C2 H2 121.0 . . ?
C2 C3 H3 119.6 . . ?
C2 C3 C4 120.7(2) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C7 120.00(18) . . ?
C5 C4 C3 119.4(2) . . ?
C5 C4 C7 120.58(19) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 118.1(2) . . ?
C1 C6 H6 120.9 . . ?
C5 C6 H6 120.9 . . ?
C8 C7 C4 120.61(19) . . ?
C8 C7 C20 120.67(19) . . ?
C20 C7 C4 118.72(19) . . ?
C7 C8 C9 121.99(19) . . ?
C7 C8 C13 119.56(18) . . ?
C9 C8 C13 118.44(19) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(2) . . ?
C10 C9 H9 119.4 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.6(2) . . ?
C11 C10 H10 119.7 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(2) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.5(2) . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C8 117.96(19) . . ?
C14 C13 C8 120.42(18) . . ?
C14 C13 C12 121.61(19) . . ?
C13 C14 B1 121.36(18) . . ?
C15 C14 C13 119.32(18) . . ?
C15 C14 B1 119.31(18) . . ?
C14 C15 C16 121.46(19) . . ?
C14 C15 C20 120.71(18) . . ?
C16 C15 C20 117.82(18) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 C15 121.8(2) . . ?
C17 C16 H16 119.1 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.1(2) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(2) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(2) . . ?
C20 C19 H19 119.3 . . ?
C7 C20 C15 119.30(19) . . ?
C7 C20 C19 122.20(19) . . ?
C19 C20 C15 118.50(19) . . ?
C22 C21 C26 113.1(4) . . ?
O6 C21 C22 101.63(15) . . ?
O6 C21 C24 108.1(2) . . ?
O6 C21 C25 107.4(2) . . ?
C24 C21 C22 113.2(2) . . ?
C25 C21 C22 114.71(19) . . ?
C25 C21 C24 111.0(2) . . ?
O3 C21 C22 101.5(3) . . ?
O3 C21 C26 104.6(6) . . ?
C23 C21 C22 119.7(4) . . ?
C23 C21 O3 107.8(6) . . ?
C23 C21 C26 108.7(6) . . ?
C21 C22 C28 108.8(5) . . ?
O4 C22 C21 101.84(16) . . ?
O4 C22 C27 105.4(2) . . ?
O4 C22 C29 107.8(2) . . ?
C27 C22 C21 115.2(2) . . ?
C27 C22 C29 110.9(2) . . ?
C29 C22 C21 114.6(2) . . ?
O5 C22 C21 100.4(3) . . ?
O5 C22 C28 109.2(6) . . ?
O5 C22 C30 111.0(6) . . ?
C30 C22 C21 116.3(5) . . ?
C30 C22 C28 110.7(8) . . ?
O4 B1 C14 121.9(2) . . ?
O6 B1 C14 123.3(2) . . ?
O6 B1 O4 114.8(2) . . ?
O3 B1 C14 122.0(3) . . ?
O5 B1 C14 125.5(3) . . ?
O5 B1 O3 112.4(4) . . ?
B1 O4 C22 105.7(2) . . ?
B1 O6 C21 105.96(19) . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C21 C25 H25A 109.5 . . ?
C21 C25 H25B 109.5 . . ?
C21 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C22 C29 H29A 109.5 . . ?
C22 C29 H29B 109.5 . . ?
C22 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
B1 O3 C21 104.1(5) . . ?
B1 O5 C22 108.3(5) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C28 H28A 109.5 . . ?
C22 C28 H28B 109.5 . . ?
C22 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C22 C30 H30A 109.5 . . ?
C22 C30 H30B 109.5 . . ?
C22 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
