Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl: Synthesis of a New Class of NHC-Boralactones.
Dai, Wen; Geib, Steven J.; Curran, Dennis P.; Journal of the American Chemical Society 141 (2019) 3623–3629; doi:10.1021/jacs.8b13010

data_4127819
_publ_section_title
;
 Ring-Opening Reactions of NHC-Boriranes with In Situ Generated HCl:
 Synthesis of a New Class of NHC-Boralactones.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3623
_journal_page_last               3629
_journal_paper_doi               10.1021/jacs.8b13010
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C27 H34 B Cl N2 O4'
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      230(2)
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_measurement_method       'omega and phi scans'
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_diffrn_reflns_theta_min         3.433
_diffrn_source                   'Bruker X8 Prospector Ultra IMuS'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Sadabs'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0680P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3930
_reflns_number_total             5060
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b13010_si_007.cif
_cod_data_source_block           wd7312017_a
_cod_database_code               4127819
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.796
_shelx_estimated_absorpt_t_max   0.957
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