# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_JM35_0m
_database_code_depnum_ccdc_archive 'CCDC 1484364'
_audit_update_record             
;
2016-06-09 deposited with the CCDC.
2016-07-12 downloaded from the CCDC.
;
_audit_creation_date             2016-06-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_formula_moiety         'C31 H29 B2 F10 N O2'
_chemical_formula_sum            'C31 H29 B2 F10 N O2'
_chemical_formula_weight         659.21
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
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'
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'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'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                   9.8867(10)
_cell_length_b                   10.3242(10)
_cell_length_c                   16.1713(16)
_cell_angle_alpha                76.107(6)
_cell_angle_beta                 86.224(6)
_cell_angle_gamma                73.616(6)
_cell_volume                     1537.3(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3592
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      21.64
_cell_measurement_theta_min      2.21
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5843
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0698 before and 0.0510 after correction.
The Ratio of minimum to maximum transmission is 0.7837.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.4240
_exptl_crystal_description       block
_exptl_crystal_F_000             676.5537
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0979
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21022
_diffrn_reflns_theta_full        27.6743
_diffrn_reflns_theta_max         27.67
_diffrn_reflns_theta_min         2.51
_diffrn_ambient_temperature      149.99
_diffrn_measured_fraction_theta_full 0.9247
_diffrn_measured_fraction_theta_max 0.9247
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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              -12
_reflns_limit_k_max              13
_reflns_limit_k_min              -12
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_gt                3267
_reflns_number_total             6639
_reflns_threshold_expression     I>=2u(I)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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)'
_refine_diff_density_max         0.6470
_refine_diff_density_min         -0.5939
_refine_diff_density_rms         0.1315
_refine_ls_d_res_high            0.7651
_refine_ls_d_res_low             8.1256
_refine_ls_goodness_of_fit_ref   1.0147
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    43
_refine_ls_number_parameters     421
_refine_ls_number_reflns         6639
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1429
_refine_ls_R_factor_gt           0.0552
_refine_ls_restrained_S_all      1.0147
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0678P)²+0.0938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1566
_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. Others
 Fixed Sof: H22a(0.5) H22b(0.5) H22c(0.5) H23a(0.5) H23b(0.5) H23c(0.5)
 H24a(0.5) H24c(0.5) H24b(0.5) C22A(0.5) H22d(0.5) H22e(0.5) H22f(0.5)
 C23A(0.5) H23d(0.5) H23f(0.5) H23e(0.5) C24A(0.5) H24f(0.5) H24d(0.5)
 H24e(0.5) H21a(0) H21b(0) H21c(0) H21a(0) H21b(0) H21c(0)
3.a Ternary CH refined with riding coordinates:
 C1(H1)
3.b Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b)
3.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C7(H7), C6(H6), C5(H5), C4(H4)
3.d Idealised Me refined as rotating group:
 C11(H11a,H11b,H11c), C12(H12a,H12b,H12c), C14(H14a,H14b,H14c), C13(H13a,H13b,
 H13c), C31(H31a,H31b,H31c), C29(H29a,H29b,H29c), C30(H30a,H30b,H30c)
;
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
F5 F -0.19411(16) 0.96636(17) 0.23615(10) 0.0410(5) Uani 1.000000 .
F4 F -0.27286(19) 1.17952(18) 0.30992(11) 0.0536(5) Uani 1.000000 .
F3 F -0.0952(2) 1.21559(18) 0.41915(11) 0.0550(5) Uani 1.000000 .
F2 F 0.16116(18) 1.02848(18) 0.45424(10) 0.0451(5) Uani 1.000000 .
F1 F 0.23894(16) 0.81240(16) 0.38681(10) 0.0374(4) Uani 1.000000 .
F10 F -0.03059(17) 0.75229(18) 0.08038(10) 0.0423(5) Uani 1.000000 .
F9 F 0.07716(18) 0.84960(19) -0.06815(10) 0.0490(5) Uani 1.000000 .
F8 F 0.29107(18) 0.97078(18) -0.07591(10) 0.0477(5) Uani 1.000000 .
F7 F 0.39899(17) 0.98503(17) 0.07046(10) 0.0444(5) Uani 1.000000 .
F6 F 0.29792(16) 0.88304(17) 0.22055(10) 0.0386(4) Uani 1.000000 .
O2 O 0.3462(2) 0.4887(2) 0.19340(12) 0.0415(5) Uani 1.000000 .
O1 O 0.1676(2) 0.3987(2) 0.25216(12) 0.0388(5) Uani 1.000000 .
N1 N -0.1542(2) 0.6531(2) 0.24675(14) 0.0327(6) Uani 1.000000 .
C24 C 0.2389(3) 0.9187(3) -0.00048(17) 0.0330(7) Uani 1.000000 .
C23 C 0.2927(3) 0.9257(3) 0.07338(18) 0.0323(7) Uani 1.000000 .
C22 C 0.2381(3) 0.8732(3) 0.15028(17) 0.0290(7) Uani 1.000000 .
C21 C 0.1274(3) 0.8121(3) 0.15929(17) 0.0276(7) Uani 1.000000 .
C1 C 0.1925(3) 0.6083(3) 0.30418(16) 0.0277(6) Uani 1.000000 .
C2 C 0.1463(3) 0.5452(3) 0.39475(16) 0.0320(7) Uani 1.000000 .
C3 C 0.2564(3) 0.4205(3) 0.44326(16) 0.0287(7) Uani 1.000000 .
C4 C 0.2209(3) 0.3019(3) 0.48766(18) 0.0399(8) Uani 1.000000 .
C5 C 0.3219(4) 0.1879(3) 0.5310(2) 0.0487(9) Uani 1.000000 .
C6 C 0.4616(4) 0.1879(3) 0.5303(2) 0.0450(9) Uani 1.000000 .
C8 C 0.3958(3) 0.4191(3) 0.44446(18) 0.0404(8) Uani 1.000000 .
C7 C 0.4976(3) 0.3048(3) 0.48665(19) 0.0463(9) Uani 1.000000 .
C25 C 0.1309(3) 0.8586(3) 0.00392(17) 0.0334(7) Uani 1.000000 .
C26 C 0.0779(3) 0.8085(3) 0.08239(17) 0.0290(7) Uani 1.000000 .
C27 C -0.0633(3) 0.6992(3) 0.24846(17) 0.0307(7) Uani 1.000000 .
C28 C -0.2691(3) 0.5944(3) 0.2365(2) 0.0417(8) Uani 1.000000 .
C15 C 0.0267(3) 0.8762(3) 0.30673(16) 0.0276(7) Uani 1.000000 .
C16 C 0.1100(3) 0.8998(3) 0.36401(17) 0.0293(7) Uani 1.000000 .
C17 C 0.0726(3) 1.0125(3) 0.40017(17) 0.0333(7) Uani 1.000000 .
C18 C -0.0553(3) 1.1073(3) 0.38207(18) 0.0361(7) Uani 1.000000 .
C19 C -0.1443(3) 1.0891(3) 0.32740(19) 0.0369(8) Uani 1.000000 .
C20 C -0.1015(3) 0.9760(3) 0.29127(17) 0.0312(7) Uani 1.000000 .
C10 C 0.3388(3) 0.3876(3) 0.1457(2) 0.0434(8) Uani 1.000000 .
C9 C 0.2560(3) 0.2978(3) 0.20671(19) 0.0400(8) Uani 1.000000 .
C11 C 0.3510(4) 0.1839(3) 0.2737(2) 0.0535(10) Uani 1.000000 .
C12 C 0.1623(4) 0.2410(4) 0.1651(2) 0.0537(9) Uani 1.000000 .
C14 C 0.2574(4) 0.4686(4) 0.0634(2) 0.0619(11) Uani 1.000000 .
C13 C 0.4873(4) 0.3102(4) 0.1262(2) 0.0581(10) Uani 1.000000 .
B2 B 0.0750(3) 0.7502(3) 0.25623(19) 0.0293(8) Uani 1.000000 .
B1 B 0.2356(3) 0.4979(3) 0.2496(2) 0.0311(8) Uani 1.000000 .
C31 C -0.2033(4) 0.4742(4) 0.1913(3) 0.0717(12) Uani 1.000000 .
C29 C -0.3166(5) 0.5339(5) 0.3230(3) 0.0876(15) Uani 1.000000 .
C30 C -0.3757(4) 0.7043(5) 0.1802(4) 0.122(2) Uani 1.000000 .
H8 H 0.4229(3) 0.4994(3) 0.41529(18) 0.0485(10) Uiso 1.000000 R
H7 H 0.5931(3) 0.3071(3) 0.48546(19) 0.0555(11) Uiso 1.000000 R
H6 H 0.5311(4) 0.1088(3) 0.5594(2) 0.0540(10) Uiso 1.000000 R
H5 H 0.2949(4) 0.1083(3) 0.5617(2) 0.0585(11) Uiso 1.000000 R
H4 H 0.1256(3) 0.2991(3) 0.48827(18) 0.0478(10) Uiso 1.000000 R
H1 H 0.2793(3) 0.6361(3) 0.31132(16) 0.0332(8) Uiso 1.000000 R
H2a H 0.1226(3) 0.6177(3) 0.42792(16) 0.0384(8) Uiso 1.000000 R
H2b H 0.0596(3) 0.5175(3) 0.39004(16) 0.0384(8) Uiso 1.000000 R
H11a H 0.4137(17) 0.2232(6) 0.2983(10) 0.0803(15) Uiso 1.000000 GR
H11b H 0.2927(4) 0.1448(17) 0.3188(8) 0.0803(15) Uiso 1.000000 GR
H11c H 0.4075(18) 0.1105(11) 0.2469(4) 0.0803(15) Uiso 1.000000 GR
H12a H 0.1180(17) 0.1825(17) 0.2089(2) 0.0805(14) Uiso 1.000000 GR
H12b H 0.0891(13) 0.3178(4) 0.1321(11) 0.0805(14) Uiso 1.000000 GR
H12c H 0.2183(5) 0.1854(17) 0.1270(10) 0.0805(14) Uiso 1.000000 GR
H14a H 0.1591(7) 0.510(2) 0.0771(2) 0.0929(17) Uiso 1.000000 GR
H14b H 0.3004(16) 0.5419(16) 0.0341(8) 0.0929(17) Uiso 1.000000 GR
H14c H 0.261(2) 0.4054(6) 0.0263(7) 0.0929(17) Uiso 1.000000 GR
H13a H 0.5320(9) 0.3744(6) 0.0872(12) 0.0872(16) Uiso 1.000000 GR
H13b H 0.5419(8) 0.271(2) 0.1791(3) 0.0872(16) Uiso 1.000000 GR
H13c H 0.4841(4) 0.2353(16) 0.0995(13) 0.0872(16) Uiso 1.000000 GR
H31a H -0.174(2) 0.5123(5) 0.1336(6) 0.1075(18) Uiso 1.000000 GR
H31b H -0.1210(16) 0.4100(14) 0.2236(9) 0.1075(18) Uiso 1.000000 GR
H31c H -0.2732(9) 0.4245(16) 0.1882(14) 0.1075(18) Uiso 1.000000 GR
H29a H -0.2367(9) 0.464(3) 0.3546(8) 0.131(2) Uiso 1.000000 GR
H29b H -0.353(3) 0.6076(8) 0.3538(8) 0.131(2) Uiso 1.000000 GR
H29c H -0.391(3) 0.491(3) 0.3176(3) 0.131(2) Uiso 1.000000 GR
H30a H -0.427(3) 0.773(2) 0.2117(9) 0.183(4) Uiso 1.000000 GR
H30b H -0.3289(6) 0.749(3) 0.1310(15) 0.183(4) Uiso 1.000000 GR
H30c H -0.442(3) 0.6632(7) 0.161(2) 0.183(4) 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
F5 C20 1.358(3) . ?
F4 C19 1.349(3) . ?
F3 C18 1.345(3) . ?
F2 C17 1.346(3) . ?
F1 C16 1.352(3) . ?
F10 C26 1.361(3) . ?
F9 C25 1.346(3) . ?
F8 C24 1.342(3) . ?
F7 C23 1.351(3) . ?
F6 C22 1.352(3) . ?
O2 C10 1.459(4) . ?
O2 B1 1.373(4) . ?
O1 C9 1.469(3) . ?
O1 B1 1.366(4) . ?
N1 C27 1.134(3) . ?
N1 C28 1.465(4) . ?
C24 C23 1.364(4) . ?
C24 C25 1.369(4) . ?
C23 C22 1.373(4) . ?
C22 C21 1.393(4) . ?
C21 C26 1.379(4) . ?
C21 B2 1.653(4) . ?
C1 C2 1.549(3) . ?
C1 B2 1.646(4) . ?
C1 B1 1.555(4) . ?
C1 H1 1.0000 . ?
C2 C3 1.515(4) . ?
C2 H2a 0.9900 . ?
C2 H2b 0.9900 . ?
C3 C4 1.387(4) . ?
C3 C8 1.376(4) . ?
C4 C5 1.381(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.372(4) . ?
C6 H6 0.9500 . ?
C8 C7 1.380(4) . ?
C8 H8 0.9500 . ?
C7 H7 0.9500 . ?
C25 C26 1.379(4) . ?
C27 B2 1.620(4) . ?
C28 C31 1.554(5) . ?
C28 C29 1.492(5) . ?
C28 C30 1.478(5) . ?
C15 C16 1.385(4) . ?
C15 C20 1.383(4) . ?
C15 B2 1.641(4) . ?
C16 C17 1.374(4) . ?
C17 C18 1.362(4) . ?
C18 C19 1.366(5) . ?
C19 C20 1.378(4) . ?
C10 C9 1.545(4) . ?
C10 C14 1.531(4) . ?
C10 C13 1.514(4) . ?
C9 C11 1.529(4) . ?
C9 C12 1.495(5) . ?
C11 H11a 0.9800 . ?
C11 H11b 0.9800 . ?
C11 H11c 0.9800 . ?
C12 H12a 0.9800 . ?
C12 H12b 0.9800 . ?
C12 H12c 0.9800 . ?
C14 H14a 0.9800 . ?
C14 H14b 0.9800 . ?
C14 H14c 0.9800 . ?
C13 H13a 0.9800 . ?
C13 H13b 0.9800 . ?
C13 H13c 0.9800 . ?
C31 H31a 0.9800 . ?
C31 H31b 0.9800 . ?
C31 H31c 0.9800 . ?
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
B1 O2 C10 107.3(2) . . ?
B1 O1 C9 107.4(2) . . ?
C28 N1 C27 174.9(3) . . ?
C23 C24 F8 120.2(3) . . ?
C25 C24 F8 120.9(3) . . ?
C25 C24 C23 118.8(2) . . ?
C24 C23 F7 119.8(2) . . ?
C22 C23 F7 120.3(3) . . ?
C22 C23 C24 119.9(3) . . ?
C23 C22 F6 116.3(2) . . ?
C21 C22 F6 119.5(2) . . ?
C21 C22 C23 124.2(3) . . ?
C26 C21 C22 113.0(2) . . ?
B2 C21 C22 118.8(3) . . ?
B2 C21 C26 128.2(2) . . ?
B2 C1 C2 112.8(2) . . ?
B1 C1 C2 111.2(2) . . ?
B1 C1 B2 112.6(2) . . ?
H1 C1 C2 106.60(15) . . ?
H1 C1 B2 106.60(15) . . ?
H1 C1 B1 106.60(16) . . ?
C3 C2 C1 114.2(2) . . ?
H2a C2 C1 108.71(15) . . ?
H2a C2 C3 108.71(15) . . ?
H2b C2 C1 108.71(15) . . ?
H2b C2 C3 108.71(15) . . ?
H2b C2 H2a 107.6 . . ?
C4 C3 C2 121.2(3) . . ?
C8 C3 C2 121.6(2) . . ?
C8 C3 C4 117.1(3) . . ?
C5 C4 C3 121.0(3) . . ?
H4 C4 C3 119.49(17) . . ?
H4 C4 C5 119.49(18) . . ?
C6 C5 C4 120.9(3) . . ?
H5 C5 C4 119.54(18) . . ?
H5 C5 C6 119.54(18) . . ?
C7 C6 C5 118.5(3) . . ?
H6 C6 C5 120.77(18) . . ?
H6 C6 C7 120.77(19) . . ?
C7 C8 C3 122.1(3) . . ?
H8 C8 C3 118.93(16) . . ?
H8 C8 C7 118.93(18) . . ?
C8 C7 C6 120.3(3) . . ?
H7 C7 C6 119.83(19) . . ?
H7 C7 C8 119.83(18) . . ?
C24 C25 F9 119.8(2) . . ?
C26 C25 F9 120.8(3) . . ?
C26 C25 C24 119.5(3) . . ?
C21 C26 F10 120.1(2) . . ?
C25 C26 F10 115.3(2) . . ?
C25 C26 C21 124.6(3) . . ?
B2 C27 N1 174.3(3) . . ?
C31 C28 N1 105.9(3) . . ?
C29 C28 N1 108.2(3) . . ?
C29 C28 C31 108.3(3) . . ?
C30 C28 N1 107.3(3) . . ?
C30 C28 C31 109.5(4) . . ?
C30 C28 C29 117.0(4) . . ?
C20 C15 C16 113.0(3) . . ?
B2 C15 C16 124.9(2) . . ?
B2 C15 C20 122.0(3) . . ?
C15 C16 F1 121.1(3) . . ?
C17 C16 F1 114.7(3) . . ?
C17 C16 C15 124.1(3) . . ?
C16 C17 F2 120.2(3) . . ?
C18 C17 F2 119.9(3) . . ?
C18 C17 C16 119.9(3) . . ?
C17 C18 F3 120.5(3) . . ?
C19 C18 F3 120.3(3) . . ?
C19 C18 C17 119.2(3) . . ?
C18 C19 F4 120.4(3) . . ?
C20 C19 F4 120.5(3) . . ?
C20 C19 C18 119.1(3) . . ?
C15 C20 F5 119.5(3) . . ?
C19 C20 F5 115.8(3) . . ?
C19 C20 C15 124.7(3) . . ?
C9 C10 O2 102.5(2) . . ?
C14 C10 O2 107.1(2) . . ?
C14 C10 C9 112.3(3) . . ?
C13 C10 O2 108.7(3) . . ?
C13 C10 C9 114.8(3) . . ?
C13 C10 C14 110.7(3) . . ?
C10 C9 O1 101.5(2) . . ?
C11 C9 O1 106.5(2) . . ?
C11 C9 C10 112.4(3) . . ?
C12 C9 O1 108.6(2) . . ?
C12 C9 C10 115.8(3) . . ?
C12 C9 C11 111.2(3) . . ?
H11a C11 C9 109.5 . . ?
H11b C11 C9 109.5 . . ?
H11b C11 H11a 109.5 . . ?
H11c C11 C9 109.5 . . ?
H11c C11 H11a 109.5 . . ?
H11c C11 H11b 109.5 . . ?
H12a C12 C9 109.5 . . ?
H12b C12 C9 109.5 . . ?
H12b C12 H12a 109.5 . . ?
H12c C12 C9 109.5 . . ?
H12c C12 H12a 109.5 . . ?
H12c C12 H12b 109.5 . . ?
H14a C14 C10 109.5 . . ?
H14b C14 C10 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 C10 109.5 . . ?
H14c C14 H14a 109.5 . . ?
H14c C14 H14b 109.5 . . ?
H13a C13 C10 109.5 . . ?
H13b C13 C10 109.5 . . ?
H13b C13 H13a 109.5 . . ?
H13c C13 C10 109.5 . . ?
H13c C13 H13a 109.5 . . ?
H13c C13 H13b 109.5 . . ?
C1 B2 C21 111.1(2) . . ?
C27 B2 C21 108.6(2) . . ?
C27 B2 C1 104.2(2) . . ?
C15 B2 C21 108.9(2) . . ?
C15 B2 C1 116.6(2) . . ?
C15 B2 C27 107.0(2) . . ?
O1 B1 O2 112.1(3) . . ?
C1 B1 O2 124.0(3) . . ?
C1 B1 O1 123.9(3) . . ?
H31a C31 C28 109.5 . . ?
H31b C31 C28 109.5 . . ?
H31b C31 H31a 109.5 . . ?
H31c C31 C28 109.5 . . ?
H31c C31 H31a 109.5 . . ?
H31c C31 H31b 109.5 . . ?
H29a C29 C28 109.5 . . ?
H29b C29 C28 109.5 . . ?
H29b C29 H29a 109.5 . . ?
H29c C29 C28 109.5 . . ?
H29c C29 H29a 109.5 . . ?
H29c C29 H29b 109.5 . . ?
H30a C30 C28 109.5 . . ?
H30b C30 C28 109.5 . . ?
H30b C30 H30a 109.5 . . ?
H30c C30 C28 109.5 . . ?
H30c C30 H30a 109.5 . . ?
H30c C30 H30b 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

