Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate Organoboron Systems with Extended π-Conjugation.
Mellerup, Soren K.; Li, Cally; Wang, Xiang; Wang, Suning; The Journal of organic chemistry 83 (2018) 11970–11977; doi:10.1021/acs.joc.8b01856

data_4035192
_publ_section_title
;
 Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate
 Organoboron Systems with Extended \p-Conjugation.
;
_journal_issue                   19
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11970
_journal_page_last               11977
_journal_paper_doi               10.1021/acs.joc.8b01856
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C30 H28 B N'
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_space_group_crystal_system      monoclinic
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_cell_measurement_reflns_used    9755
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.99
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measured_fraction_theta_max 0.999
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_diffrn_reflns_limit_k_min       -19
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_description       Block
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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^)+(0.0504P)^2^+1.2763P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1238
_refine_ls_wR_factor_ref         0.1270
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4712
_reflns_number_total             5134
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b01856_si_002.cif
_cod_data_source_block           sk41
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4035192
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_shelx_estimated_absorpt_t_max   0.995
_shelx_res_checksum              74617
_shelx_hkl_checksum              79171