A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.
Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang; Organic & biomolecular chemistry 19 (2021) 5794–5799; doi:10.1039/d1ob00730k

data_7158114
_publ_section_title
;
 A three-component iodine-catalyzed oxidative coupling reaction: a
 heterodifunctionalization of 3-methylindoles.
;
_journal_issue                   26
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              5794
_journal_page_last               5799
_journal_paper_doi               10.1039/d1ob00730k
_journal_volume                  19
_journal_year                    2021
_chemical_formula_moiety         'C17 H20 N2 O4'
_chemical_formula_sum            'C17 H20 N2 O4'
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_audit_update_record
;
2021-02-24 deposited with the CCDC.	2021-06-01 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_computing_molecular_graphics    'Bruker SHELXTL'
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; 
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'Not Measured'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0705P)^2^+0.3799P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1186
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_reflns_number_gt                2501
_reflns_number_total             3082
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7158113--7158115.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7158114
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              92293
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