Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones
Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar; ACS Catalysis 11 (2021) 12384–12393; doi:10.1021/acscatal.1c03314

data_4519069
_publ_section_title
;
 Ni(II)-Catalyzed Intramolecular C--H/C--H Oxidative Coupling: An
 Efficient Route to Functionalized Cycloindolones and Indenoindolones
;
_journal_issue                   19
_journal_name_full               'ACS Catalysis'
_journal_page_first              12384
_journal_page_last               12393
_journal_paper_doi               10.1021/acscatal.1c03314
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C36 H30 N4 O2'
_chemical_formula_sum            'C36 H30 N4 O2'
_chemical_formula_weight         550.64
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_cell_measurement_temperature    100(2)
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_computing_cell_refinement       'SAINT (Bruker, 2016)'
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_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON II CPAD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multilayer mirrors'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'micro-focus sealed tube'
_diffrn_source_type              'Incoatech I\mS HB'
_exptl_absorpt_coefficient_mu    0.082
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (BRUKER, 2016)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
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_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0452
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0498P)^2^+1.3502P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6352
_reflns_number_total             8236
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cs1c03314_si_006.cif
_cod_data_source_block           Comp_18
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4519069
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.974
_shelx_estimated_absorpt_t_max   0.980
_shelx_res_checksum              75935
_shelx_hkl_checksum              82791