Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond: Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines and Its Application to the Synthesis of New BN Isosteres of Naphthalene and Indenyl.
Brown, Alec N.; Li, Bo; Liu, Shih-Yuan; Journal of the American Chemical Society 137 (2015) 8932–8935; doi:10.1021/jacs.5b05879

data_4123948
_publ_section_title
;
 Negishi Cross-Coupling Is Compatible with a Reactive B-Cl Bond:
 Development of a Versatile Late-Stage Functionalization of 1,2-Azaborines
 and Its Application to the Synthesis of New BN Isosteres of Naphthalene
 and Indenyl.
;
_journal_issue                   28
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8932
_journal_page_last               8935
_journal_paper_doi               10.1021/jacs.5b05879
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         'C13 H21 B Li N Si, 2(C4 H8 O)'
_chemical_formula_sum            'C21 H37 B Li N O2 Si'
_chemical_formula_weight         381.35
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_diffrn_source                   'microfocus sealed tube'
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_exptl_absorpt_process_details
;
Sheldrick, G.M. (2013). SADABS. Bruker AXS Inc. Madison, WI USA.
;
_exptl_crystal_colour            orange
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1005P)^2^+0.4174P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1555
_refine_ls_wR_factor_ref         0.1645
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3484
_reflns_number_total             4005
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b05879_si_002.cif
_cod_data_source_block           C13H21BLiNSi(C4H8O)2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4123948--4123949.cif.
;
_cod_database_code               4123948
_shelx_estimated_absorpt_t_min   0.644
_shelx_estimated_absorpt_t_max   0.942
_shelxl_version_number           2014/6
_shelx_res_checksum              90077
_shelx_hkl_checksum              92794