Visible-Light-Induced Intramolecular sp3 C−H Oxidation of 2-Alkyl-Substituted Benzamides for Synthesis of Functionalized Iminoisobenzofurans
Wu, Lingang; Hao, Yanan; Liu, Yu-Xiu; Wang, Qingmin; Chemical Communications  (2019) –; doi:10.1039/C9CC07791J

data_7124381
_publ_section_title
;
 Visible-Light-Induced Intramolecular sp3 C&#x2212;H Oxidation of
 2-Alkyl-Substituted Benzamides for Synthesis of Functionalized
 Iminoisobenzofurans
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC07791J
_journal_year                    2019
_chemical_formula_sum            'C16 H14 Br N O'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-08-06 deposited with the CCDC.    2019-10-25 downloaded from the CCDC.
;
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_diffrn_measurement_method       '\w scans'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0456P)^2^+0.6844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2591
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc07791j2.cif
_cod_data_source_block           shelxl
_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/rss-feeds/RSC/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_original_cell_volume        1382.6(5)
_cod_database_code               7124381
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.589
_shelx_estimated_absorpt_t_max   0.717
_shelx_res_checksum              19242