Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides: Synthesis of Isoindolone Spirosuccinimides.
Manoharan, Ramasamy; Jeganmohan, Masilamani; Organic letters 19 (2017) 5884–5887; doi:10.1021/acs.orglett.7b02873

data_1547728
_publ_section_title
;
 Cobalt-Catalyzed Oxidative Cyclization of Benzamides with Maleimides:
 Synthesis of Isoindolone Spirosuccinimides.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              5884
_journal_page_last               5887
_journal_paper_doi               10.1021/acs.orglett.7b02873
_journal_volume                  19
_journal_year                    2017
_chemical_formula_moiety         'C28 H21 N3 O3'
_chemical_formula_sum            'C28 H21 N3 O3'
_chemical_formula_weight         447.48
_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-2014/7
_cell_angle_alpha                102.671(4)
_cell_angle_beta                 106.404(4)
_cell_angle_gamma                97.121(4)
_cell_formula_units_Z            2
_cell_length_a                   8.3542(12)
_cell_length_b                   11.7504(15)
_cell_length_c                   11.9494(15)
_cell_measurement_reflns_used    5459
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      2.59
_cell_volume                     1076.0(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0749
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            21952
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.593
_exptl_absorpt_coefficient_mu    0.091
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_refine_diff_density_max         0.203
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.878
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4372
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.878
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0471
_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^)+(0.1000P)^2^+0.3642P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1199
_refine_ls_wR_factor_ref         0.1479
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3009
_reflns_number_total             4389
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ol7b02873_si_001.cif
_cod_data_source_block           NRM-3430_a
_cod_depositor_comments          'Adding full bibliography for 1547728.cif.'
_cod_database_code               1547728
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              17245
_shelx_hkl_checksum              8836