Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives
Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun; Chem. Commun.  (2017) –; doi:10.1039/C7CC06531K

data_7120678
_publ_section_title
;
 Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl
 Azides via Nitrene Radical: Chemoselective Synthesis of The
 Sulfonylamidyl amide and 3-Imine Indole Derivatives
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC06531K
_journal_year                    2017
_chemical_formula_sum            'C24 H27 N3 O2 S'
_chemical_formula_weight         421.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-06-12 deposited with the CCDC.
2017-09-19 downloaded from the CCDC.
;
_cell_angle_alpha                94.34(2)
_cell_angle_beta                 96.56(2)
_cell_angle_gamma                105.53(3)
_cell_formula_units_Z            4
_cell_length_a                   8.088(8)
_cell_length_b                   14.815(13)
_cell_length_c                   19.177(18)
_cell_measurement_temperature    296(2)
_cell_volume                     2186(4)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.962
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0682
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            46414
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.628
_diffrn_reflns_theta_min         2.640
_exptl_absorpt_coefficient_mu    0.174
_exptl_crystal_density_diffrn    1.281
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.141
_refine_diff_density_min         -0.793
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         10045
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1011
_refine_ls_R_factor_gt           0.0800
_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^)+(0.1351P)^2^+3.9104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2197
_refine_ls_wR_factor_ref         0.2416
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8013
_reflns_number_total             10045
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc06531k2.cif
_cod_data_source_block           a_CCDC1
_cod_database_code               7120678
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.950
_shelx_estimated_absorpt_t_max   0.974
_shelx_res_checksum              59698