# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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. 
# 
#######################################################################

data_BNO
_database_code_depnum_ccdc_archive 'CCDC 2402292'
loop_
_audit_author_name
_audit_author_address
'Akkarakkaran Thayyil Muhammed Munthasir'
;Indian Institute of science, Bangalore 
India
;
_audit_update_record             
;
2024-11-13 deposited with the CCDC.	2025-01-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        
10-(bis(2,6-dimethylphenyl)boraneyl)-10H-phenoxazine
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H26 B N O'
_chemical_formula_weight         403.31

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'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6034(2)
_cell_length_b                   10.4382(3)
_cell_length_c                   12.1561(3)
_cell_angle_alpha                101.6820(10)
_cell_angle_beta                 103.8100(10)
_cell_angle_gamma                104.2210(10)
_cell_volume                     1102.05(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6646
_cell_measurement_theta_min      1.8
_cell_measurement_theta_max      30.6

_exptl_crystal_description       Rectangular
_exptl_crystal_colour            Pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_F_000             428
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    0.072
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22883
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.796
_diffrn_reflns_theta_max         30.577
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6646
_reflns_number_gt                5131
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1053P)²+0.1900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6646
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0563
_refine_ls_wR_factor_ref         0.1897
_refine_ls_wR_factor_gt          0.1741
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
C13 C 0.4222(3) 0.1683(2) 0.49229(16) 0.0729(5) Uani 1 1 d . . . . .
H13A H 0.496042 0.236714 0.476427 0.109 Uiso 1 1 calc R U . . .
H13B H 0.368055 0.212363 0.536455 0.109 Uiso 1 1 calc R U . . .
H13C H 0.471803 0.117493 0.537078 0.109 Uiso 1 1 calc R U . . .
O1 O 0.50501(12) 0.59397(10) 0.24095(10) 0.0491(3) Uani 1 1 d . . . . .
C10 C 0.92555(18) 0.1993(2) 0.40673(19) 0.0638(5) Uani 1 1 d . . . . .
H10 H 1.024017 0.199592 0.437866 0.077 Uiso 1 1 calc R U . . .
C9 C 0.82297(19) 0.0873(2) 0.32029(17) 0.0576(4) Uani 1 1 d . . . . .
H9 H 0.852905 0.011690 0.293200 0.069 Uiso 1 1 calc R U . . .
C8 C 0.67499(17) 0.08460(15) 0.27241(13) 0.0439(3) Uani 1 1 d . . . . .
C7 C 0.63001(14) 0.20089(13) 0.30877(11) 0.0357(3) Uani 1 1 d . . . . .
B1 B 0.46202(15) 0.20336(14) 0.25963(12) 0.0336(3) Uani 1 1 d . . . . .
N1 N 0.43868(11) 0.31169(10) 0.20871(9) 0.0340(2) Uani 1 1 d . . . . .
C17 C 0.54652(13) 0.38265(12) 0.16082(11) 0.0347(2) Uani 1 1 d . . . . .
C18 C 0.61666(15) 0.31407(14) 0.09205(12) 0.0396(3) Uani 1 1 d . . . . .
H18 H 0.594461 0.219137 0.076865 0.048 Uiso 1 1 calc R U . . .
C19 C 0.71926(16) 0.38557(17) 0.04589(13) 0.0478(3) Uani 1 1 d . . . . .
H19 H 0.766589 0.338698 0.000885 0.057 Uiso 1 1 calc R U . . .
C20 C 0.75150(17) 0.52589(17) 0.06639(15) 0.0517(4) Uani 1 1 d . . . . .
H20 H 0.821580 0.573702 0.036120 0.062 Uiso 1 1 calc R U . . .
C4 C 0.0935(2) -0.12599(17) 0.2802(2) 0.0662(5) Uani 1 1 d . . . . .
H4 H 0.016328 -0.197027 0.284334 0.079 Uiso 1 1 calc R U . . .
C3 C 0.10392(18) -0.11115(16) 0.17284(19) 0.0584(4) Uani 1 1 d . . . . .
H3 H 0.033979 -0.173212 0.104341 0.070 Uiso 1 1 calc R U . . .
C2 C 0.21762(15) -0.00455(14) 0.16453(14) 0.0449(3) Uani 1 1 d . . . . .
C14 C 0.2193(2) 0.0061(2) 0.04314(15) 0.0607(4) Uani 1 1 d . . . . .
H14A H 0.302576 0.083254 0.049603 0.091 Uiso 1 1 calc R U . . .
H14B H 0.229769 -0.076649 -0.000601 0.091 Uiso 1 1 calc R U . . .
H14C H 0.126691 0.018623 0.003036 0.091 Uiso 1 1 calc R U . . .
C1 C 0.32541(14) 0.08909(13) 0.26848(12) 0.0380(3) Uani 1 1 d . . . . .
C5 C 0.1976(2) -0.03547(19) 0.38191(19) 0.0630(5) Uani 1 1 d . . . . .
H5 H 0.190047 -0.046199 0.454585 0.076 Uiso 1 1 calc R U . . .
C11 C 0.88178(16) 0.31043(18) 0.44664(16) 0.0550(4) Uani 1 1 d . . . . .
H11 H 0.950259 0.384369 0.507722 0.066 Uiso 1 1 calc R U . . .
C12 C 0.73667(15) 0.31578(14) 0.39796(12) 0.0417(3) Uani 1 1 d . . . . .
C16 C 0.70168(19) 0.44508(16) 0.44527(15) 0.0544(4) Uani 1 1 d . . . . .
H16A H 0.599278 0.436126 0.405051 0.082 Uiso 1 1 calc R U . . .
H16B H 0.714962 0.459606 0.528151 0.082 Uiso 1 1 calc R U . . .
H16C H 0.768476 0.521972 0.432782 0.082 Uiso 1 1 calc R U . . .
C15 C 0.5675(2) -0.04349(17) 0.18170(17) 0.0616(4) Uani 1 1 d . . . . .
H15A H 0.470213 -0.031112 0.156496 0.092 Uiso 1 1 calc R U . . .
H15B H 0.604333 -0.061656 0.115236 0.092 Uiso 1 1 calc R U . . .
H15C H 0.559062 -0.119656 0.215331 0.092 Uiso 1 1 calc R U . . .
C21 C 0.68019(16) 0.59564(15) 0.13164(15) 0.0495(3) Uani 1 1 d . . . . .
H21 H 0.700755 0.690236 0.144710 0.059 Uiso 1 1 calc R U . . .
C22 C 0.57757(14) 0.52350(13) 0.17759(12) 0.0394(3) Uani 1 1 d . . . . .
C23 C 0.36103(15) 0.51709(14) 0.23170(12) 0.0411(3) Uani 1 1 d . . . . .
C24 C 0.25821(19) 0.58785(16) 0.24216(14) 0.0498(3) Uani 1 1 d . . . . .
H24 H 0.287172 0.682866 0.255587 0.060 Uiso 1 1 calc R U . . .
C25 C 0.11293(19) 0.51652(18) 0.23254(15) 0.0543(4) Uani 1 1 d . . . . .
H25 H 0.043222 0.563318 0.239504 0.065 Uiso 1 1 calc R U . . .
C26 C 0.07065(17) 0.37586(18) 0.21260(15) 0.0528(4) Uani 1 1 d . . . . .
H26 H -0.027836 0.328024 0.205860 0.063 Uiso 1 1 calc R U . . .
C27 C 0.17368(16) 0.30483(16) 0.20249(14) 0.0458(3) Uani 1 1 d . . . . .
H27 H 0.143490 0.209751 0.188550 0.055 Uiso 1 1 calc R U . . .
C28 C 0.32195(14) 0.37471(13) 0.21302(11) 0.0367(3) Uani 1 1 d . . . . .
C6 C 0.31416(17) 0.07197(15) 0.37804(14) 0.0471(3) 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
C13 C6 1.500(2) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
O1 C22 1.3778(17) . ?
O1 C23 1.3830(17) . ?
C10 C11 1.366(3) . ?
C10 C9 1.373(3) . ?
C10 H10 0.9300 . ?
C9 C8 1.392(2) . ?
C9 H9 0.9300 . ?
C8 C7 1.4096(18) . ?
C8 C15 1.500(2) . ?
C7 C12 1.4151(18) . ?
C7 B1 1.5895(18) . ?
B1 N1 1.4331(17) . ?
B1 C1 1.5831(18) . ?
N1 C17 1.4302(15) . ?
N1 C28 1.4382(15) . ?
C17 C22 1.3879(18) . ?
C17 C18 1.3887(18) . ?
C18 C19 1.3838(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.377(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.378(2) . ?
C20 H20 0.9300 . ?
C4 C3 1.368(3) . ?
C4 C5 1.376(3) . ?
C4 H4 0.9300 . ?
C3 C2 1.394(2) . ?
C3 H3 0.9300 . ?
C2 C1 1.4148(19) . ?
C2 C14 1.506(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C1 C6 1.405(2) . ?
C5 C6 1.394(2) . ?
C5 H5 0.9300 . ?
C11 C12 1.398(2) . ?
C11 H11 0.9300 . ?
C12 C16 1.505(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C21 C22 1.3851(19) . ?
C21 H21 0.9300 . ?
C23 C24 1.3845(19) . ?
C23 C28 1.3963(18) . ?
C24 C25 1.375(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.377(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.388(2) . ?
C26 H26 0.9300 . ?
C27 C28 1.3931(19) . ?
C27 H27 0.9300 . ?

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
C6 C13 H13A 109.5 . . ?
C6 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C6 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C22 O1 C23 114.05(10) . . ?
C11 C10 C9 119.45(14) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C9 C8 121.26(15) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C8 C7 119.93(15) . . ?
C9 C8 C15 118.33(14) . . ?
C7 C8 C15 121.74(13) . . ?
C8 C7 C12 118.25(12) . . ?
C8 C7 B1 122.41(12) . . ?
C12 C7 B1 119.20(11) . . ?
N1 B1 C1 121.48(11) . . ?
N1 B1 C7 118.29(10) . . ?
C1 B1 C7 120.22(10) . . ?
C17 N1 B1 121.37(10) . . ?
C17 N1 C28 111.88(9) . . ?
B1 N1 C28 126.22(10) . . ?
C22 C17 C18 118.10(12) . . ?
C22 C17 N1 119.74(11) . . ?
C18 C17 N1 122.08(11) . . ?
C19 C18 C17 120.67(13) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 120.21(14) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C21 120.16(13) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C3 C4 C5 119.80(14) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C3 C2 121.06(16) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C2 C1 119.67(15) . . ?
C3 C2 C14 117.73(15) . . ?
C1 C2 C14 122.60(13) . . ?
C2 C14 H14A 109.5 . . ?
C2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C6 C1 C2 118.67(12) . . ?
C6 C1 B1 121.27(12) . . ?
C2 C1 B1 119.90(12) . . ?
C4 C5 C6 121.21(17) . . ?
C4 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C10 C11 C12 121.65(16) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C7 119.33(14) . . ?
C11 C12 C16 117.42(14) . . ?
C7 C12 C16 123.24(12) . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C15 H15A 109.5 . . ?
C8 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C8 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C20 C21 C22 119.36(14) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
O1 C22 C21 118.84(12) . . ?
O1 C22 C17 119.71(12) . . ?
C21 C22 C17 121.45(13) . . ?
O1 C23 C24 116.94(13) . . ?
O1 C23 C28 121.28(12) . . ?
C24 C23 C28 121.79(13) . . ?
C25 C24 C23 119.47(14) . . ?
C25 C24 H24 120.3 . . ?
C23 C24 H24 120.3 . . ?
C24 C25 C26 120.02(13) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C27 120.58(14) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C26 C27 C28 120.58(14) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 C23 117.55(12) . . ?
C27 C28 N1 124.93(12) . . ?
C23 C28 N1 117.50(11) . . ?
C5 C6 C1 119.57(15) . . ?
C5 C6 C13 118.46(15) . . ?
C1 C6 C13 121.95(13) . . ?

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
C11 C10 C9 C8 0.0(2) . . . . ?
C10 C9 C8 C7 2.9(2) . . . . ?
C10 C9 C8 C15 -177.60(15) . . . . ?
C9 C8 C7 C12 -2.87(19) . . . . ?
C15 C8 C7 C12 177.67(13) . . . . ?
C9 C8 C7 B1 -178.65(12) . . . . ?
C15 C8 C7 B1 1.9(2) . . . . ?
C8 C7 B1 N1 -125.88(13) . . . . ?
C12 C7 B1 N1 58.37(16) . . . . ?
C8 C7 B1 C1 54.68(17) . . . . ?
C12 C7 B1 C1 -121.06(13) . . . . ?
C1 B1 N1 C17 -156.58(11) . . . . ?
C7 B1 N1 C17 23.99(17) . . . . ?
C1 B1 N1 C28 32.48(18) . . . . ?
C7 B1 N1 C28 -146.95(12) . . . . ?
B1 N1 C17 C22 -141.04(12) . . . . ?
C28 N1 C17 C22 31.09(15) . . . . ?
B1 N1 C17 C18 42.40(17) . . . . ?
C28 N1 C17 C18 -145.47(12) . . . . ?
C22 C17 C18 C19 2.64(19) . . . . ?
N1 C17 C18 C19 179.26(12) . . . . ?
C17 C18 C19 C20 -0.9(2) . . . . ?
C18 C19 C20 C21 -0.9(2) . . . . ?
C5 C4 C3 C2 -0.7(3) . . . . ?
C4 C3 C2 C1 0.8(2) . . . . ?
C4 C3 C2 C14 -178.84(16) . . . . ?
C3 C2 C1 C6 -0.2(2) . . . . ?
C14 C2 C1 C6 179.37(14) . . . . ?
C3 C2 C1 B1 175.30(13) . . . . ?
C14 C2 C1 B1 -5.1(2) . . . . ?
N1 B1 C1 C6 -118.87(14) . . . . ?
C7 B1 C1 C6 60.55(17) . . . . ?
N1 B1 C1 C2 65.71(17) . . . . ?
C7 B1 C1 C2 -114.88(14) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C9 C10 C11 C12 -3.0(2) . . . . ?
C10 C11 C12 C7 2.9(2) . . . . ?
C10 C11 C12 C16 -177.80(14) . . . . ?
C8 C7 C12 C11 0.04(19) . . . . ?
B1 C7 C12 C11 175.96(12) . . . . ?
C8 C7 C12 C16 -179.21(13) . . . . ?
B1 C7 C12 C16 -3.29(19) . . . . ?
C19 C20 C21 C22 0.9(2) . . . . ?
C23 O1 C22 C21 148.67(13) . . . . ?
C23 O1 C22 C17 -31.16(17) . . . . ?
C20 C21 C22 O1 -178.88(13) . . . . ?
C20 C21 C22 C17 1.0(2) . . . . ?
C18 C17 C22 O1 177.15(12) . . . . ?
N1 C17 C22 O1 0.46(18) . . . . ?
C18 C17 C22 C21 -2.68(19) . . . . ?
N1 C17 C22 C21 -179.38(12) . . . . ?
C22 O1 C23 C24 -150.41(13) . . . . ?
C22 O1 C23 C28 29.78(18) . . . . ?
O1 C23 C24 C25 179.37(13) . . . . ?
C28 C23 C24 C25 -0.8(2) . . . . ?
C23 C24 C25 C26 0.0(2) . . . . ?
C24 C25 C26 C27 0.2(3) . . . . ?
C25 C26 C27 C28 0.4(2) . . . . ?
C26 C27 C28 C23 -1.2(2) . . . . ?
C26 C27 C28 N1 177.37(13) . . . . ?
O1 C23 C28 C27 -178.79(13) . . . . ?
C24 C23 C28 C27 1.4(2) . . . . ?
O1 C23 C28 N1 2.55(19) . . . . ?
C24 C23 C28 N1 -177.25(12) . . . . ?
C17 N1 C28 C27 149.31(13) . . . . ?
B1 N1 C28 C27 -39.0(2) . . . . ?
C17 N1 C28 C23 -32.14(15) . . . . ?
B1 N1 C28 C23 139.53(13) . . . . ?
C4 C5 C6 C1 0.4(3) . . . . ?
C4 C5 C6 C13 179.00(18) . . . . ?
C2 C1 C6 C5 -0.4(2) . . . . ?
B1 C1 C6 C5 -175.83(14) . . . . ?
C2 C1 C6 C13 -178.87(16) . . . . ?
B1 C1 C6 C13 5.6(2) . . . . ?

_refine_diff_density_max         0.356
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.049

