[6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global Aromaticity and Open-Shell Diradical Character.
Li, Zhengtao; Gopalakrishna, Tullimilli Y.; Han, Yi; Gu, Yanwei; Yuan, Liu; Zeng, Wangdong; Casanova, David; Wu, Jishan; Journal of the American Chemical Society 141 (2019) 16266–16270; doi:10.1021/jacs.9b09780

data_4127687
_publ_section_title
;
 [6]Cyclo-<i>para</i>-phenylmethine: An Analog of Benzene Showing Global
 Aromaticity and Open-Shell Diradical Character.
;
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16266
_journal_page_last               16270
_journal_paper_doi               10.1021/jacs.9b09780
_journal_volume                  141
_journal_year                    2019
_chemical_formula_moiety         'C96 H90 [+ solvent]'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_description       BLOCK
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_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1673P)^2^+6.1294P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2690
_refine_ls_wR_factor_ref         0.2811
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4412
_reflns_number_total             5142
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b09780_si_002.cif
_cod_data_source_block           Neutral
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/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 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4127687
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              46020
_shelx_hkl_checksum              81157
_shelx_fab_checksum              37090