Reactions of Anodically Generated Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Vinyl and Formyl Groups.
Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok; The Journal of organic chemistry 84 (2019) 7279–7290; doi:10.1021/acs.joc.9b00939

data_4034636
_publ_section_title
;
 Reactions of Anodically Generated Methoxystilbene Cation Radicals: The
 Influence of Ortho-Substituted Vinyl and Formyl Groups.
;
_journal_issue                   11
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7279
_journal_page_last               7290
_journal_paper_doi               10.1021/acs.joc.9b00939
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C32 H28 O5'
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'enCIFer (Allen, et. al., J. Applied Cryst., 37, 335-338, 2004)'
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_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.6379P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
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_reflns_number_gt                4498
_reflns_number_total             6279
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo9b00939_si_003.cif
_cod_data_source_block           CKW_4858
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '__computing_structure_refinement' was replaced with
'_computing_structure_refinement'.

Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 

The following automatic conversions were performed:

data item '_chemical_melting_point' value '202-204' was changed to
'203.0(10)' -- the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_max   0.988
_shelx_res_checksum              44210
_shelx_hkl_checksum              49434