Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond formation: desulfonylative C(sp<sup>2</sup>)-H functionalization.
Li, Quanzhe; Gu, Xintao; Wei, Yin; Shi, Min; Chemical science 13 (2022) 11623–11632; doi:10.1039/d2sc02822k

data_1567654
_publ_section_title
;
 Visible-light-induced indole synthesis <i>via</i> intramolecular C-N bond
 formation: desulfonylative C(sp<sup>2</sup>)-H functionalization.
;
_journal_issue                   39
_journal_name_full               'Chemical science'
_journal_page_first              11623
_journal_page_last               11632
_journal_paper_doi               10.1039/d2sc02822k
_journal_volume                  13
_journal_year                    2022
_chemical_formula_sum            'C21 H16 Cl N'
_chemical_formula_weight         317.80
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_audit_creation_method           SHELXL-2013
_audit_update_record
;
2021-09-09 deposited with the CCDC.	2022-09-16 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_exptl_crystal_colour            colorless
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_refine_ls_extinction_coef       0.027(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1133P)^2^+0.4426P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1706
_refine_ls_wR_factor_ref         0.1848
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2554
_reflns_number_total             3128
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_d8v21698_0m
_cod_depositor_comments          'Adding full bibliography for 1567654.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1567654
_shelx_estimated_absorpt_t_min   0.954
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_shelxl_version_number           2013-4
_shelx_res_checksum              33425
_shelx_hkl_checksum              62447