# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_liz3_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1886874'
loop_
_audit_author_name
_audit_author_address
'Amanda Oldacre'
;Lehigh University
United States of America
;
_audit_update_record             
;
2018-12-21 deposited with the CCDC.	2019-05-15 downloaded from the CCDC.
;
_audit_creation_date             2018-12-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_systematic        mesoBDPCarb
_chemical_formula_moiety         'C31 H34 B F2 N3'
_chemical_formula_sum            'C31 H34 B F2 N3'
_chemical_formula_weight         497.46
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
B 0.00141 0.00067 2.05450 1.33260 1.09790 0.70680 23.21850 1.02100 60.34980
0.14030 -0.193200007081
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   10.053(4)
_cell_length_b                   11.375(4)
_cell_length_c                   12.746(6)
_cell_angle_alpha                111.34(2)
_cell_angle_beta                 105.576(18)
_cell_angle_gamma                90.796(16)
_cell_volume                     1297.6(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      30.44
_cell_measurement_theta_min      3.04
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6923
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0633 before and 0.0523 after correction. The Ratio of minimum to maximum transmission is 0.9279. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.2731
_exptl_crystal_description       Block
_exptl_crystal_F_000             528.2379
_exptl_crystal_preparation       
'The crystal was grown by slow evaporation of chloroform.'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26242
_diffrn_reflns_theta_full        27.5685
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         3.04
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.9962
_diffrn_measured_fraction_theta_max 0.9962
_diffrn_measurement_device_type  'Brucker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -13
_reflns_limit_k_max              13
_reflns_limit_k_min              -14
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                4474
_reflns_number_total             5976
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.4178
_refine_diff_density_min         -0.3202
_refine_diff_density_rms         0.0660
_refine_ls_d_res_high            0.7678
_refine_ls_d_res_low             6.6900
_refine_ls_goodness_of_fit_ref   1.0396
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    53
_refine_ls_number_parameters     339
_refine_ls_number_reflns         5976
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0446
_refine_ls_restrained_S_all      1.0396
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0512P)²+0.4346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1158
_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
2.a Secondary CH2 refined with riding coordinates:
 C00N(H00b,H00c), C00P(H00d,H00e), C00U(H00n,H00o), C00W(H00v,H00w), C00Z(H00,
 Hc)
2.b Aromatic/amide H refined with riding coordinates:
 C00I(H00I), C00G(H00G), C00A(H00A), C00M(H00M), C00T(H00T), C00R(H00R),
 C00H(H00H), C00J(H00J), C00Q(H00Q)
2.c Idealised Me refined as rotating group:
 C00S(H00f,H00k,H00l), C00V(H00p,H00s,H00u), C00X(H00x,H00y,H), C00Y(H00z,Ha,
 Hb), C011(H01a,H01b,H01c)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
F001 F 1.17181(9) 0.89471(9) 0.84011(8) 0.0316(2) Uani 1.000000 .
F002 F 0.98304(10) 0.99397(8) 0.79851(8) 0.0345(2) Uani 1.000000 .
N003 N 0.95022(12) 0.76576(11) 0.73437(10) 0.0202(3) Uani 1.000000 .
N004 N 0.52031(12) 0.37999(11) 0.08535(10) 0.0221(3) Uani 1.000000 .
N005 N 1.06928(12) 0.87025(11) 0.63886(10) 0.0220(3) Uani 1.000000 .
C006 C 0.44819(14) 0.56794(14) 0.18032(12) 0.0206(3) Uani 1.000000 .
C007 C 0.58436(14) 0.56150(13) 0.25050(12) 0.0191(3) Uani 1.000000 .
C008 C 0.79881(14) 0.60522(13) 0.40402(12) 0.0202(3) Uani 1.000000 .
C009 C 0.99178(14) 0.78109(14) 0.52893(12) 0.0214(3) Uani 1.000000 .
C00A C 0.67257(14) 0.64180(13) 0.35928(12) 0.0195(3) Uani 1.000000 .
C00B C 0.41274(14) 0.45353(14) 0.07992(12) 0.0218(3) Uani 1.000000 .
C00C C 0.87261(14) 0.68043(13) 0.62251(12) 0.0198(3) Uani 1.000000 .
C00D C 0.89120(14) 0.69100(13) 0.52167(12) 0.0195(3) Uani 1.000000 .
C00E C 0.62461(14) 0.44417(13) 0.18921(12) 0.0198(3) Uani 1.000000 .
C00F C 0.91919(15) 0.72968(15) 0.81547(13) 0.0241(3) Uani 1.000000 .
C00G C 0.75162(15) 0.40749(14) 0.23330(13) 0.0241(3) Uani 1.000000 .
C00H C 0.28570(15) 0.42809(16) -0.00700(13) 0.0272(3) Uani 1.000000 .
C00I C 0.83763(15) 0.48945(14) 0.34070(13) 0.0240(3) Uani 1.000000 .
C00J C 0.82304(16) 0.62017(15) 0.75827(14) 0.0270(3) Uani 1.000000 .
C00K C 0.79140(15) 0.58762(14) 0.63806(13) 0.0237(3) Uani 1.000000 .
C00L C 1.03929(16) 0.80302(15) 0.44119(13) 0.0265(3) Uani 1.000000 .
C00M C 0.35530(16) 0.65735(15) 0.19345(14) 0.0271(3) Uani 1.000000 .
C00N C 0.50861(16) 0.24583(14) 0.01188(13) 0.0260(3) Uani 1.000000 .
C00O C 1.15798(16) 0.94491(15) 0.62090(14) 0.0278(3) Uani 1.000000 .
C00P C 0.42028(16) 0.16335(15) 0.04526(14) 0.0279(3) Uani 1.000000 .
C00Q C 1.14218(17) 0.90477(16) 0.50050(14) 0.0330(4) Uani 1.000000 .
C00R C 0.19628(16) 0.51908(17) 0.00787(14) 0.0328(4) Uani 1.000000 .
C00S C 0.69625(17) 0.47255(16) 0.54703(15) 0.0334(4) Uani 1.000000 .
C00T C 0.22970(17) 0.63238(17) 0.10675(15) 0.0334(4) Uani 1.000000 .
C00U C 0.47385(17) 0.18272(16) 0.17454(14) 0.0314(4) Uani 1.000000 .
C00V C 0.99575(18) 0.72980(17) 0.31076(14) 0.0352(4) Uani 1.000000 .
C00W C 0.39418(17) 0.09805(16) 0.21094(15) 0.0338(4) Uani 1.000000 .
C00X C 0.97840(18) 0.80122(17) 0.94451(14) 0.0342(4) Uani 1.000000 .
C00Y C 1.25524(18) 1.05297(16) 0.71932(15) 0.0360(4) Uani 1.000000 .
C00Z C 0.44146(19) 0.13455(17) 0.34483(16) 0.0377(4) Uani 1.000000 .
B010 B 1.04581(17) 0.88570(16) 0.75761(14) 0.0225(3) Uani 1.000000 .
C011 C 0.3681(2) 0.04862(19) 0.38314(19) 0.0475(5) Uani 1.000000 .
H00I H 0.92548(15) 0.46650(14) 0.37235(13) 0.0287(4) Uiso 1.000000 R
H00G H 0.77857(15) 0.32859(14) 0.19101(13) 0.0289(4) Uiso 1.000000 R
H00A H 0.64626(14) 0.72076(13) 0.40219(12) 0.0234(3) Uiso 1.000000 R
H00M H 0.37763(16) 0.73453(15) 0.26096(14) 0.0325(4) Uiso 1.000000 R
H00T H 0.16540(17) 0.69315(17) 0.11466(15) 0.0401(5) Uiso 1.000000 R
H00R H 0.10948(16) 0.50431(17) -0.05076(14) 0.0394(5) Uiso 1.000000 R
H00H H 0.26168(15) 0.35060(16) -0.07421(13) 0.0327(4) Uiso 1.000000 R
H00J H 0.78544(16) 0.57529(15) 0.79583(14) 0.0323(4) Uiso 1.000000 R
H00b H 0.46638(16) 0.23333(14) -0.07168(13) 0.0313(4) Uiso 1.000000 R
H00c H 0.60276(16) 0.21873(14) 0.02016(13) 0.0313(4) Uiso 1.000000 R
H00d H 0.32333(16) 0.18371(15) 0.02805(14) 0.0335(4) Uiso 1.000000 R
H00e H 0.41939(16) 0.07279(15) -0.00380(14) 0.0335(4) Uiso 1.000000 R
H00Q H 1.19390(17) 0.94159(16) 0.46533(14) 0.0397(5) Uiso 1.000000 R
H00f H 0.6295(8) 0.4973(2) 0.4894(6) 0.0501(6) Uiso 1.000000 GR
H00k H 0.7510(2) 0.4106(5) 0.5069(7) 0.0501(6) Uiso 1.000000 GR
H00l H 0.6459(9) 0.4344(7) 0.5852(2) 0.0501(6) Uiso 1.000000 GR
H00n H 0.57259(17) 0.16734(16) 0.19218(14) 0.0377(4) Uiso 1.000000 R
H00o H 0.47036(17) 0.27256(16) 0.22297(14) 0.0377(4) Uiso 1.000000 R
H00p H 1.0383(10) 0.6506(6) 0.29303(15) 0.0528(6) Uiso 1.000000 GR
H00s H 0.8942(2) 0.7099(10) 0.2817(2) 0.0528(6) Uiso 1.000000 GR
H00u H 1.0262(11) 0.7810(5) 0.27210(16) 0.0528(6) Uiso 1.000000 GR
H00v H 0.29355(17) 0.10486(16) 0.18492(15) 0.0406(5) Uiso 1.000000 R
H00w H 0.40820(17) 0.00849(16) 0.17141(15) 0.0406(5) Uiso 1.000000 R
H00x H 1.08022(18) 0.8084(10) 0.9658(2) 0.0514(6) Uiso 1.000000 GR
H00y H 0.9490(10) 0.8865(4) 0.9661(2) 0.0514(6) Uiso 1.000000 GR
H H 0.9450(10) 0.7560(6) 0.98672(14) 0.0514(6) Uiso 1.000000 GR
H00z H 1.2059(4) 1.1004(7) 0.7751(6) 0.0539(6) Uiso 1.000000 GR
Ha H 1.3336(7) 1.01989(18) 0.7599(7) 0.0539(6) Uiso 1.000000 GR
Hb H 1.2902(10) 1.1096(6) 0.68760(19) 0.0539(6) Uiso 1.000000 GR
H00 H 0.54294(19) 0.13144(17) 0.37097(16) 0.0452(5) Uiso 1.000000 R
Hc H 0.42402(19) 0.22312(17) 0.38389(16) 0.0452(5) Uiso 1.000000 R
H01a H 0.3835(12) -0.0395(3) 0.3437(10) 0.0712(7) Uiso 1.000000 GR
H01b H 0.4048(11) 0.0739(9) 0.4687(2) 0.0712(7) Uiso 1.000000 GR
H01c H 0.2681(3) 0.0554(10) 0.3620(11) 0.0712(7) Uiso 1.000000 GR


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
F001 B010 1.3869(19) . ?
F002 B010 1.385(2) . ?
N003 C00C 1.3993(18) . ?
N003 C00F 1.3463(19) . ?
N003 B010 1.546(2) . ?
N004 C00B 1.3788(19) . ?
N004 C00E 1.3837(18) . ?
N004 C00N 1.4544(19) . ?
N005 C009 1.3987(19) . ?
N005 C00O 1.3412(19) . ?
N005 B010 1.542(2) . ?
C006 C007 1.440(2) . ?
C006 C00B 1.410(2) . ?
C006 C00M 1.386(2) . ?
C007 C00A 1.392(2) . ?
C007 C00E 1.407(2) . ?
C008 C00A 1.381(2) . ?
C008 C00D 1.492(2) . ?
C008 C00I 1.396(2) . ?
C009 C00D 1.390(2) . ?
C009 C00L 1.424(2) . ?
C00A H00A 0.9500 . ?
C00B C00H 1.392(2) . ?
C00C C00D 1.394(2) . ?
C00C C00K 1.427(2) . ?
C00E C00G 1.386(2) . ?
C00F C00J 1.395(2) . ?
C00F C00X 1.486(2) . ?
C00G C00I 1.380(2) . ?
C00G H00G 0.9500 . ?
C00H C00R 1.375(2) . ?
C00H H00H 0.9500 . ?
C00I H00I 0.9500 . ?
C00J C00K 1.381(2) . ?
C00J H00J 0.9500 . ?
C00K C00S 1.496(2) . ?
C00L C00Q 1.375(2) . ?
C00L C00V 1.497(2) . ?
C00M C00T 1.381(2) . ?
C00M H00M 0.9500 . ?
C00N C00P 1.523(2) . ?
C00N H00b 0.9900 . ?
C00N H00c 0.9900 . ?
C00O C00Q 1.395(2) . ?
C00O C00Y 1.492(2) . ?
C00P C00U 1.520(2) . ?
C00P H00d 0.9900 . ?
C00P H00e 0.9900 . ?
C00Q H00Q 0.9500 . ?
C00R C00T 1.393(3) . ?
C00R H00R 0.9500 . ?
C00S H00f 0.9800 . ?
C00S H00k 0.9800 . ?
C00S H00l 0.9800 . ?
C00T H00T 0.9500 . ?
C00U C00W 1.513(2) . ?
C00U H00n 0.9900 . ?
C00U H00o 0.9900 . ?
C00V H00p 0.9800 . ?
C00V H00s 0.9800 . ?
C00V H00u 0.9800 . ?
C00W C00Z 1.534(3) . ?
C00W H00v 0.9900 . ?
C00W H00w 0.9900 . ?
C00X H00x 0.9800 . ?
C00X H00y 0.9800 . ?
C00X H 0.9800 . ?
C00Y H00z 0.9800 . ?
C00Y Ha 0.9800 . ?
C00Y Hb 0.9800 . ?
C00Z C011 1.503(2) . ?
C00Z H00 0.9900 . ?
C00Z Hc 0.9900 . ?
C011 H01a 0.9800 . ?
C011 H01b 0.9800 . ?
C011 H01c 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
C00F N003 C00C 108.30(12) . . ?
B010 N003 C00C 124.53(12) . . ?
B010 N003 C00F 127.02(12) . . ?
C00E N004 C00B 108.23(12) . . ?
C00N N004 C00B 124.42(12) . . ?
C00N N004 C00E 125.34(12) . . ?
C00O N005 C009 107.92(12) . . ?
B010 N005 C009 125.12(12) . . ?
B010 N005 C00O 126.74(12) . . ?
C00B C006 C007 106.23(12) . . ?
C00M C006 C007 134.05(14) . . ?
C00M C006 C00B 119.71(13) . . ?
C00A C007 C006 133.82(13) . . ?
C00E C007 C006 106.70(12) . . ?
C00E C007 C00A 119.46(12) . . ?
C00D C008 C00A 118.64(12) . . ?
C00I C008 C00A 120.38(13) . . ?
C00I C008 C00D 120.98(12) . . ?
C00D C009 N005 120.08(13) . . ?
C00L C009 N005 107.88(12) . . ?
C00L C009 C00D 132.02(13) . . ?
C008 C00A C007 119.16(13) . . ?
H00A C00A C007 120.42(8) . . ?
H00A C00A C008 120.42(8) . . ?
C006 C00B N004 109.57(12) . . ?
C00H C00B N004 129.10(14) . . ?
C00H C00B C006 121.32(14) . . ?
C00D C00C N003 120.33(12) . . ?
C00K C00C N003 107.72(12) . . ?
C00K C00C C00D 131.76(13) . . ?
C009 C00D C008 119.73(12) . . ?
C00C C00D C008 118.89(12) . . ?
C00C C00D C009 121.37(12) . . ?
C007 C00E N004 109.25(12) . . ?
C00G C00E N004 129.17(13) . . ?
C00G C00E C007 121.58(12) . . ?
C00J C00F N003 109.13(13) . . ?
C00X C00F N003 123.34(14) . . ?
C00X C00F C00J 127.52(14) . . ?
C00I C00G C00E 117.75(13) . . ?
H00G C00G C00E 121.12(8) . . ?
H00G C00G C00I 121.12(9) . . ?
C00R C00H C00B 117.64(15) . . ?
H00H C00H C00B 121.18(9) . . ?
H00H C00H C00R 121.18(9) . . ?
C00G C00I C008 121.65(13) . . ?
H00I C00I C008 119.17(8) . . ?
H00I C00I C00G 119.17(9) . . ?
C00K C00J C00F 108.85(13) . . ?
H00J C00J C00F 125.57(9) . . ?
H00J C00J C00K 125.57(9) . . ?
C00J C00K C00C 105.99(13) . . ?
C00S C00K C00C 129.20(14) . . ?
C00S C00K C00J 124.72(14) . . ?
C00Q C00L C009 106.07(13) . . ?
C00V C00L C009 129.07(14) . . ?
C00V C00L C00Q 124.79(14) . . ?
C00T C00M C006 118.91(15) . . ?
H00M C00M C006 120.55(9) . . ?
H00M C00M C00T 120.55(10) . . ?
C00P C00N N004 111.84(12) . . ?
H00b C00N N004 109.25(8) . . ?
H00b C00N C00P 109.25(8) . . ?
H00c C00N N004 109.25(8) . . ?
H00c C00N C00P 109.25(8) . . ?
H00c C00N H00b 107.9 . . ?
C00Q C00O N005 109.46(13) . . ?
C00Y C00O N005 122.54(14) . . ?
C00Y C00O C00Q 128.00(14) . . ?
C00U C00P C00N 112.50(12) . . ?
H00d C00P C00N 109.10(8) . . ?
H00d C00P C00U 109.10(9) . . ?
H00e C00P C00N 109.10(8) . . ?
H00e C00P C00U 109.10(9) . . ?
H00e C00P H00d 107.8 . . ?
C00O C00Q C00L 108.65(14) . . ?
H00Q C00Q C00L 125.68(9) . . ?
H00Q C00Q C00O 125.68(9) . . ?
C00T C00R C00H 121.67(14) . . ?
H00R C00R C00H 119.16(9) . . ?
H00R C00R C00T 119.16(9) . . ?
H00f C00S C00K 109.5 . . ?
H00k C00S C00K 109.5 . . ?
H00k C00S H00f 109.5 . . ?
H00l C00S C00K 109.5 . . ?
H00l C00S H00f 109.5 . . ?
H00l C00S H00k 109.5 . . ?
C00R C00T C00M 120.73(15) . . ?
H00T C00T C00M 119.63(10) . . ?
H00T C00T C00R 119.63(9) . . ?
C00W C00U C00P 114.64(14) . . ?
H00n C00U C00P 108.60(9) . . ?
H00n C00U C00W 108.60(9) . . ?
H00o C00U C00P 108.60(9) . . ?
H00o C00U C00W 108.60(9) . . ?
H00o C00U H00n 107.6 . . ?
H00p C00V C00L 109.5 . . ?
H00s C00V C00L 109.5 . . ?
H00s C00V H00p 109.5 . . ?
H00u C00V C00L 109.5 . . ?
H00u C00V H00p 109.5 . . ?
H00u C00V H00s 109.5 . . ?
C00Z C00W C00U 111.70(14) . . ?
H00v C00W C00U 109.28(9) . . ?
H00v C00W C00Z 109.28(9) . . ?
H00w C00W C00U 109.28(9) . . ?
H00w C00W C00Z 109.28(9) . . ?
H00w C00W H00v 107.9 . . ?
H00x C00X C00F 109.5 . . ?
H00y C00X C00F 109.5 . . ?
H00y C00X H00x 109.5 . . ?
H C00X C00F 109.5 . . ?
H C00X H00x 109.5 . . ?
H C00X H00y 109.5 . . ?
H00z C00Y C00O 109.5 . . ?
Ha C00Y C00O 109.5 . . ?
Ha C00Y H00z 109.5 . . ?
Hb C00Y C00O 109.5 . . ?
Hb C00Y H00z 109.5 . . ?
Hb C00Y Ha 109.5 . . ?
C011 C00Z C00W 112.88(16) . . ?
H00 C00Z C00W 109.01(9) . . ?
H00 C00Z C011 109.01(11) . . ?
Hc C00Z C00W 109.01(9) . . ?
Hc C00Z C011 109.01(11) . . ?
Hc C00Z H00 107.8 . . ?
F002 B010 F001 109.33(12) . . ?
N003 B010 F001 110.13(12) . . ?
N003 B010 F002 110.45(12) . . ?
N005 B010 F001 110.14(12) . . ?
N005 B010 F002 110.21(12) . . ?
N005 B010 N003 106.55(11) . . ?
H01a C011 C00Z 109.5 . . ?
H01b C011 C00Z 109.5 . . ?
H01b C011 H01a 109.5 . . ?
H01c C011 C00Z 109.5 . . ?
H01c C011 H01a 109.5 . . ?
H01c C011 H01b 109.5 . . ?

_olex2_submission_original_sample_id mesoBDPCarb
_olex2_submission_special_instructions 'No special instructions were received'
