Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.
Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng; Organic & biomolecular chemistry 18 (2020) 4843–4847; doi:10.1039/d0ob00877j

data_7157537
_publ_section_title
;
 Manganese(iii)-promoted tandem phosphinoylation/cyclization of
 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.
;
_journal_issue                   25
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4843
_journal_page_last               4847
_journal_paper_doi               10.1039/d0ob00877j
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         C33H37Cl3NO2P
_chemical_formula_sum            'C33 H37 Cl3 N O2 P'
_chemical_formula_weight         616.95
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-02 deposited with the CCDC.	2020-06-08 downloaded from the CCDC.
;
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_cell_angle_beta                 94.549(3)
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_cell_measurement_theta_max      23.45
_cell_measurement_theta_min      2.37
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0197
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_diffrn_reflns_Laue_measured_fraction_full 0.994
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_exptl_absorpt_coefficient_mu    0.371
_exptl_absorpt_correction_type   multi-scan
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_refine_ls_number_reflns         5854
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0540
_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^)+(0.0701P)^2^+0.9594P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1406
_refine_ls_wR_factor_ref         0.1524
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4594
_reflns_number_total             5854
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob00877j2.cif
_cod_data_source_block           A
_cod_depositor_comments          'Adding full bibliography for 7157537.cif.'
_cod_database_code               7157537
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.936
_shelx_estimated_absorpt_t_max   0.946
_shelx_res_checksum              89985