1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.
Shi, Yong-Gang; Yang, Deng-Tao; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning; Organic letters 18 (2016) 1626–1629; doi:10.1021/acs.orglett.6b00485

data_1542926
_publ_section_title
;
 1,1-Hydroboration of Fused Azole-Isoindole Analogues as an Approach for
 Construction of B,N-Heterocycles and Azole-Fused B,N-Naphthalenes.
;
_journal_issue                   7
_journal_name_full               'Organic letters'
_journal_page_first              1626
_journal_page_last               1629
_journal_paper_doi               10.1021/acs.orglett.6b00485
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C34 H36 B N3'
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   13.582(2)
_cell_length_c                   9.6038(12)
_cell_measurement_reflns_used    9905
_cell_measurement_temperature    152(2)
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_cell_volume                     2767.4(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measured_fraction_theta_full 0.984
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_diffrn_reflns_theta_max         27.39
_diffrn_reflns_theta_min         2.44
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.069
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_R_factor_all          0.0882
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0400P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1101
_reflns_number_gt                4320
_reflns_number_total             6209
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol6b00485_si_002.cif
_cod_data_source_block           syg
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1542925--1542926.cif.
;
_cod_original_cell_volume        2767.5(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1542926