# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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_ftc_20201216
_database_code_depnum_ccdc_archive 'CCDC 2058412'
loop_
_audit_author_name
_audit_author_address
fangtongchang
;FuZhou University
China
;
_audit_update_record             
;
2021-01-25 deposited with the CCDC.	2021-02-26 downloaded from the CCDC.
;
_audit_creation_date             2021-01-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
# end Validation Reply Form
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H20 B F2 I O4 S'
_chemical_formula_sum            'C15 H20 B F2 I O4 S'
_chemical_formula_weight         472.08
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
S S 0.1246 0.1234 '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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   21.746(5)
_cell_length_b                   10.386(3)
_cell_length_c                   17.254(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3896.9(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9049
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22.34
_cell_measurement_theta_min      2.17
_shelx_estimated_absorpt_T_max   0.901
_shelx_estimated_absorpt_T_min   0.814
_exptl_absorpt_coefficient_mu    1.783
_exptl_absorpt_correction_T_max  0.7450
_exptl_absorpt_correction_T_min  0.6537
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0724 before and 0.0533 after correction.
The Ratio of minimum to maximum transmission is 0.8774.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0113
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            112351
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        23.814
_diffrn_reflns_theta_max         23.814
_diffrn_reflns_theta_min         1.873
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2446
_reflns_number_total             2994
_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 (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.517
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         2994
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0370
_refine_ls_R_factor_gt           0.0276
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0295P)²+4.3257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0699
_refine_special_details          ?
_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 Ternary CH refined with riding coordinates:
 C1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C9(H9), C6(H6), C8(H8), C7(H7)
2.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C)
;
_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
I1 I 0.25466(2) -0.08384(3) 0.07664(2) 0.07015(12) Uani 1 1 d . . . . .
S1 S 0.06491(4) 0.29760(8) 0.09545(5) 0.0516(2) Uani 1 1 d . . . . .
F1 F 0.05007(9) 0.0791(2) 0.16530(13) 0.0722(6) Uani 1 1 d . . . . .
F2 F 0.05166(10) 0.06857(19) 0.04043(13) 0.0724(6) Uani 1 1 d . . . . .
O3 O 0.16405(11) -0.0579(2) 0.25387(13) 0.0640(6) Uani 1 1 d . . . . .
O1 O 0.09791(11) 0.3393(2) 0.02824(16) 0.0718(7) Uani 1 1 d . . . . .
O2 O 0.07974(12) 0.3488(3) 0.17017(16) 0.0761(8) Uani 1 1 d . . . . .
O4 O 0.12920(14) -0.2374(2) 0.19487(13) 0.0766(8) Uani 1 1 d . . . . .
C1 C 0.15897(14) -0.0495(3) 0.10609(18) 0.0468(8) Uani 1 1 d . . . . .
H1 H 0.132664 -0.091935 0.067707 0.056 Uiso 1 1 calc R U . . .
C4 C -0.01436(15) 0.3089(3) 0.07782(19) 0.0504(8) Uani 1 1 d . . . . .
C2 C 0.14711(14) 0.0947(3) 0.10385(19) 0.0479(8) Uani 1 1 d . . . . .
H2A H 0.165305 0.134621 0.149206 0.057 Uiso 1 1 calc R U . . .
H2B H 0.166577 0.131183 0.058287 0.057 Uiso 1 1 calc R U . . .
C3 C 0.07965(14) 0.1236(3) 0.10196(18) 0.0473(8) Uani 1 1 d . . . . .
C10 C 0.14373(17) -0.1441(4) 0.31648(19) 0.0605(9) Uani 1 1 d . . . . .
C5 C -0.05462(17) 0.2964(4) 0.1395(2) 0.0668(10) Uani 1 1 d . . . . .
H5 H -0.039981 0.283149 0.189501 0.080 Uiso 1 1 calc R U . . .
C9 C -0.03539(18) 0.3302(3) 0.0035(2) 0.0607(9) Uani 1 1 d . . . . .
H9 H -0.007913 0.338588 -0.037477 0.073 Uiso 1 1 calc R U . . .
C6 C -0.11664(18) 0.3040(4) 0.1253(3) 0.0807(12) Uani 1 1 d . . . . .
H6 H -0.144469 0.294654 0.165812 0.097 Uiso 1 1 calc R U . . .
C8 C -0.09808(19) 0.3389(4) -0.0089(3) 0.0717(11) Uani 1 1 d . . . . .
H8 H -0.113177 0.354103 -0.058506 0.086 Uiso 1 1 calc R U . . .
C11 C 0.1396(2) -0.2746(4) 0.2762(2) 0.0763(12) Uani 1 1 d . . . . .
C7 C -0.1376(2) 0.3252(4) 0.0517(3) 0.0804(12) Uani 1 1 d . . . . .
H7 H -0.179678 0.330353 0.042828 0.097 Uiso 1 1 calc R U . . .
C14 C 0.0814(2) -0.0933(5) 0.3425(3) 0.1009(16) Uani 1 1 d . . . . .
H14A H 0.051811 -0.106633 0.302004 0.151 Uiso 1 1 calc R U . . .
H14B H 0.084607 -0.002959 0.353503 0.151 Uiso 1 1 calc R U . . .
H14C H 0.068585 -0.138306 0.388287 0.151 Uiso 1 1 calc R U . . .
C15 C 0.1887(3) -0.1344(6) 0.3820(3) 0.122(2) Uani 1 1 d . . . . .
H15A H 0.186627 -0.049833 0.404392 0.183 Uiso 1 1 calc R U . . .
H15B H 0.229557 -0.149617 0.362919 0.183 Uiso 1 1 calc R U . . .
H15C H 0.178871 -0.197410 0.420771 0.183 Uiso 1 1 calc R U . . .
C12 C 0.0873(3) -0.3598(5) 0.3015(3) 0.136(3) Uani 1 1 d . . . . .
H12A H 0.087051 -0.436746 0.270721 0.204 Uiso 1 1 calc R U . . .
H12B H 0.049118 -0.314818 0.294862 0.204 Uiso 1 1 calc R U . . .
H12C H 0.092490 -0.382016 0.355119 0.204 Uiso 1 1 calc R U . . .
C13 C 0.2006(4) -0.3469(7) 0.2771(3) 0.185(4) Uani 1 1 d . . . . .
H13A H 0.233601 -0.287896 0.266821 0.278 Uiso 1 1 calc R U . . .
H13B H 0.200134 -0.412703 0.237976 0.278 Uiso 1 1 calc R U . . .
H13C H 0.206566 -0.385779 0.327009 0.278 Uiso 1 1 calc R U . . .
B1 B 0.15038(17) -0.1172(4) 0.1866(2) 0.0471(9) 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
I1 C1 2.172(3) . ?
S1 O1 1.431(3) . ?
S1 O2 1.431(3) . ?
S1 C4 1.755(3) . ?
S1 C3 1.838(3) . ?
F1 C3 1.350(4) . ?
F2 C3 1.351(4) . ?
O3 C10 1.470(4) . ?
O3 B1 1.346(4) . ?
O4 C11 1.472(4) . ?
O4 B1 1.338(4) . ?
C1 H1 0.9800 . ?
C1 C2 1.520(4) . ?
C1 B1 1.569(5) . ?
C4 C5 1.384(5) . ?
C4 C9 1.379(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.498(4) . ?
C10 C11 1.527(5) . ?
C10 C14 1.521(6) . ?
C10 C15 1.499(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.373(5) . ?
C9 H9 0.9300 . ?
C9 C8 1.383(5) . ?
C6 H6 0.9300 . ?
C6 C7 1.367(6) . ?
C8 H8 0.9300 . ?
C8 C7 1.360(6) . ?
C11 C12 1.505(7) . ?
C11 C13 1.525(7) . ?
C7 H7 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?

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 S1 O2 120.30(17) . . ?
O1 S1 C4 109.39(16) . . ?
O1 S1 C3 105.02(15) . . ?
O2 S1 C4 110.64(16) . . ?
O2 S1 C3 105.73(16) . . ?
C4 S1 C3 104.35(15) . . ?
B1 O3 C10 106.8(3) . . ?
B1 O4 C11 107.0(3) . . ?
I1 C1 H1 109.1 . . ?
C2 C1 I1 108.6(2) . . ?
C2 C1 H1 109.1 . . ?
C2 C1 B1 116.4(3) . . ?
B1 C1 I1 104.3(2) . . ?
B1 C1 H1 109.1 . . ?
C5 C4 S1 118.8(3) . . ?
C9 C4 S1 119.8(3) . . ?
C9 C4 C5 121.3(3) . . ?
C1 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 111.4(3) . . ?
C3 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
F1 C3 S1 107.6(2) . . ?
F1 C3 F2 106.1(3) . . ?
F1 C3 C2 112.4(3) . . ?
F2 C3 S1 106.8(2) . . ?
F2 C3 C2 111.9(3) . . ?
C2 C3 S1 111.7(2) . . ?
O3 C10 C11 102.9(3) . . ?
O3 C10 C14 105.9(3) . . ?
O3 C10 C15 108.5(3) . . ?
C14 C10 C11 112.9(4) . . ?
C15 C10 C11 116.2(4) . . ?
C15 C10 C14 109.6(4) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 C4 118.6(4) . . ?
C6 C5 H5 120.7 . . ?
C4 C9 H9 120.6 . . ?
C4 C9 C8 118.8(4) . . ?
C8 C9 H9 120.6 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6 119.9 . . ?
C9 C8 H8 120.1 . . ?
C7 C8 C9 119.7(4) . . ?
C7 C8 H8 120.1 . . ?
O4 C11 C10 102.1(3) . . ?
O4 C11 C12 108.4(4) . . ?
O4 C11 C13 105.8(3) . . ?
C12 C11 C10 115.7(4) . . ?
C12 C11 C13 111.4(5) . . ?
C13 C11 C10 112.4(5) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 C6 121.4(4) . . ?
C8 C7 H7 119.3 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O3 B1 C1 122.1(3) . . ?
O4 B1 O3 114.3(3) . . ?
O4 B1 C1 123.6(3) . . ?

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
I1 C1 C2 C3 164.4(2) . . . . ?
I1 C1 B1 O3 85.3(3) . . . . ?
I1 C1 B1 O4 -94.6(3) . . . . ?
S1 C4 C5 C6 -179.3(3) . . . . ?
S1 C4 C9 C8 -179.9(3) . . . . ?
O3 C10 C11 O4 -25.5(4) . . . . ?
O3 C10 C11 C12 -143.0(4) . . . . ?
O3 C10 C11 C13 87.5(4) . . . . ?
O1 S1 C4 C5 -168.1(3) . . . . ?
O1 S1 C4 C9 11.7(3) . . . . ?
O1 S1 C3 F1 179.2(2) . . . . ?
O1 S1 C3 F2 -67.2(2) . . . . ?
O1 S1 C3 C2 55.5(3) . . . . ?
O2 S1 C4 C5 -33.4(3) . . . . ?
O2 S1 C4 C9 146.5(3) . . . . ?
O2 S1 C3 F1 51.1(2) . . . . ?
O2 S1 C3 F2 164.6(2) . . . . ?
O2 S1 C3 C2 -72.7(3) . . . . ?
C1 C2 C3 S1 -177.8(2) . . . . ?
C1 C2 C3 F1 61.1(4) . . . . ?
C1 C2 C3 F2 -58.1(4) . . . . ?
C4 S1 C3 F1 -65.7(2) . . . . ?
C4 S1 C3 F2 47.8(2) . . . . ?
C4 S1 C3 C2 170.5(2) . . . . ?
C4 C5 C6 C7 -0.9(6) . . . . ?
C4 C9 C8 C7 -0.6(6) . . . . ?
C2 C1 B1 O3 -34.2(4) . . . . ?
C2 C1 B1 O4 145.9(3) . . . . ?
C3 S1 C4 C5 79.9(3) . . . . ?
C3 S1 C4 C9 -100.2(3) . . . . ?
C10 O3 B1 O4 -6.4(4) . . . . ?
C10 O3 B1 C1 173.7(3) . . . . ?
C5 C4 C9 C8 -0.1(5) . . . . ?
C5 C6 C7 C8 0.2(7) . . . . ?
C9 C4 C5 C6 0.8(6) . . . . ?
C9 C8 C7 C6 0.6(6) . . . . ?
C11 O4 B1 O3 -11.1(4) . . . . ?
C11 O4 B1 C1 168.8(3) . . . . ?
C14 C10 C11 O4 88.2(4) . . . . ?
C14 C10 C11 C12 -29.3(5) . . . . ?
C14 C10 C11 C13 -158.8(4) . . . . ?
C15 C10 C11 O4 -143.9(4) . . . . ?
C15 C10 C11 C12 98.7(5) . . . . ?
C15 C10 C11 C13 -30.9(5) . . . . ?
B1 O3 C10 C11 20.2(4) . . . . ?
B1 O3 C10 C14 -98.5(4) . . . . ?
B1 O3 C10 C15 143.9(4) . . . . ?
B1 O4 C11 C10 22.7(4) . . . . ?
B1 O4 C11 C12 145.4(4) . . . . ?
B1 O4 C11 C13 -95.1(5) . . . . ?
B1 C1 C2 C3 -78.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT023_ftc_20201216        
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..       0.57 Ang-1 
RESPONSE: The intensity of reflections at high 2theta angle is too weak to
be observed, and the data was cut off at a resolution of 0.88 angstrom.
;
# start Validation Reply Form
_vrf_THETM01_0                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: The intensity of reflections at high 2theta angle is too weak to
be observed, and the data was cut off at a resolution of 0.9 angstrom.
;
# start Validation Reply Form
_vrf_THETM01_ftc_20201216        
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: The intensity of reflections at high 2theta angle is too weak to
be observed, and the data was cut off at a resolution of 0.88 angstrom.
;
