Intermolecular dearomative C2-arylation of N-Ac indoles activated by FeCl3.
Nandi, Raj Kumar; Ratsch, Friederike; Beaud, Rodolphe; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume; Chemical communications (Cambridge, England) 52 (2016) 5328–5331; doi:10.1039/c6cc01654e

data_7118890
_publ_section_title
;
 Intermolecular dearomative C2-arylation of N-Ac indoles activated by
 FeCl3.
;
_journal_issue                   30
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5328
_journal_page_last               5331
_journal_paper_doi               10.1039/c6cc01654e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C18 H19 N O2'
_chemical_formula_sum            'C18 H19 N O2'
_chemical_formula_weight         281.34
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-01-27 deposited with the CCDC.
2016-03-11 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0191
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.992
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0726P)^2^+0.8432P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1351
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_reflns_number_gt                4969
_reflns_number_total             5808
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc01654e2.cif
_cod_data_source_block           8b
_cod_depositor_comments
'Adding full bibliography for 7118890--7118892.cif.'
_cod_database_code               7118890
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