Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.
Xiong, Meijun; Xie, Xin; Liu, Yuanhong; Organic letters 19 (2017) 3398–3401; doi:10.1021/acs.orglett.7b01355

data_1547094
_publ_section_title
;
 Copper-Catalyzed Borylative Cyclization of in Situ Generated
 o-Allenylaryl Nitriles with Bis(pinacolato)diboron.
;
_journal_issue                   13
_journal_name_full               'Organic letters'
_journal_page_first              3398
_journal_page_last               3401
_journal_paper_doi               10.1021/acs.orglett.7b01355
_journal_volume                  19
_journal_year                    2017
_chemical_formula_sum            'C36 H48 B N O5 Si'
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_b                   15.956(3)
_cell_length_c                   15.979(3)
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_cell_measurement_temperature    293(2)
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0934
_diffrn_reflns_Laue_measured_fraction_full 0.969
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_diffrn_reflns_limit_h_min       -8
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_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         24.998
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_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.131
_exptl_crystal_description       prismatic
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_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.2993
_refine_ls_wR_factor_ref         0.3626
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_reflns_number_gt                2958
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           cd16021
_cod_original_cell_volume        1802.7(5)
_cod_database_code               1547094
_shelx_estimated_absorpt_t_min   0.981
_shelx_estimated_absorpt_t_max   0.992
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_shelx_res_checksum              75554
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