N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic diborane(4) compound.
Zhong, Minling; Zhang, Jie; Xie, Zuowei; Chemical science 15 (2024) 18048–18051; doi:10.1039/d4sc04980b

data_1572821
_publ_section_title
;
 N[double bond, length as m-dash]N bond cleavage in diazirines by a cyclic
 diborane(4) compound.
;
_journal_issue                   43
_journal_name_full               'Chemical science'
_journal_page_first              18048
_journal_page_last               18051
_journal_paper_doi               10.1039/d4sc04980b
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C18 H27 B12 Br2 F3 N2 S'
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_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-01-12 deposited with the CCDC.	2024-10-07 downloaded from the CCDC.
;
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_cell_measurement_temperature    296(2)
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_computing_cell_refinement       'BRUKER D8VENTURE DIFFRACTOMETER'
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'BRUKER D8VENTURE DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    2.876
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5216
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+9.4646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3801
_reflns_number_total             5294
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc04980b2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 1572821--1572822.cif.'
_cod_database_code               1572821
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