I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.
Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia; Organic & biomolecular chemistry 16 (2018) 9030–9037; doi:10.1039/c8ob02230e

data_7156549
_publ_section_title
;
 I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the
 synthesis of 3-(4-pyridyl)indoles.
;
_journal_issue                   46
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              9030
_journal_page_last               9037
_journal_paper_doi               10.1039/c8ob02230e
_journal_volume                  16
_journal_year                    2018
_chemical_formula_sum            'C53 H41 Cl3 N4'
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_space_group_name_Hall           '-C 2yc'
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_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-05-23 deposited with the CCDC.
2018-11-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.998(6)
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_cell_measurement_theta_max      72.172
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_cell_volume                     4381.4(5)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
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_diffrn_reflns_Laue_measured_fraction_full 0.981
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_diffrn_reflns_limit_h_max       31
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_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
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_diffrn_reflns_theta_max         74.902
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_exptl_absorpt_coefficient_mu    2.210
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
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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^)+(0.1619P)^2^+2.5293P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2265
_refine_ls_wR_factor_ref         0.2487
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3434
_reflns_number_total             4174
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ob02230e2.cif
_cod_data_source_block           1_a
_cod_depositor_comments          'Adding full bibliography for 7156549.cif.'
_cod_database_code               7156549
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.642
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_shelx_res_checksum              55347