Donor-π-Acceptor Type Unsymmetrical Triarylborane-Based Fluorophores: Synthesis, Fluorescence Properties, and Photostability.
Ito, Masato; Ito, Emi; Hirai, Masato; Yamaguchi, Shigehiro; The Journal of organic chemistry 83 (2018) 8449–8456; doi:10.1021/acs.joc.8b01015

data_4035541
_publ_section_title
;
 Donor-\p-Acceptor Type Unsymmetrical Triarylborane-Based Fluorophores:
 Synthesis, Fluorescence Properties, and Photostability.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8449
_journal_page_last               8456
_journal_paper_doi               10.1021/acs.joc.8b01015
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C47 H66 B2 O2'
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_cell_angle_gamma                90
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_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Pilatus 200K'
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_diffrn_reflns_av_unetI/netI     0.0644
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_diffrn_reflns_limit_k_min       -34
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_coefficient_mu    0.061
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_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_description       Block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+3.3690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1573
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5883
_reflns_number_total             9890
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b01015_si_002.cif
_cod_data_source_block           6a
_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/n'
_cod_database_code               4035541
_shelx_shelxl_version_number     2017/1
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_shelx_estimated_absorpt_t_max   0.994
_shelx_res_checksum              61964
_shelx_hkl_checksum              94138