Access to 3a-Benzoylmethyl Pyrrolidino[2,3- b]indolines via Cu<sup>II</sup>-Catalyzed Radical Annulation/C3-Functionalization Sequence.
Chen, Xiaofeng; Fan, Jinbao; Zeng, Guangyao; Ma, Jinjin; Wang, Chenxi; Wang, Yajing; Zhou, Yingjun; Deng, Xu; The Journal of organic chemistry 83 (2018) 8322–8330; doi:10.1021/acs.joc.8b01017

data_4035588
_publ_section_title
;
 Access to 3a-Benzoylmethyl Pyrrolidino[2,3- b]indolines via
 Cu<sup>II</sup>-Catalyzed Radical Annulation/C3-Functionalization
 Sequence.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              8322
_journal_page_last               8330
_journal_paper_doi               10.1021/acs.joc.8b01017
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C25 H24 N2 O3 S'
_chemical_formula_weight         432.52
_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
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_cell_angle_beta                 92.914(6)
_cell_angle_gamma                107.852(6)
_cell_formula_units_Z            2
_cell_length_a                   8.4687(8)
_cell_length_b                   9.9801(12)
_cell_length_c                   14.1033(13)
_cell_measurement_reflns_used    4405
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      32.07
_cell_measurement_theta_min      3.05
_cell_volume                     1100.7(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.916
_diffrn_measured_fraction_theta_max 0.743
_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  0.0272
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.916
_diffrn_reflns_Laue_measured_fraction_max 0.743
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8416
_diffrn_reflns_point_group_measured_fraction_full 0.916
_diffrn_reflns_point_group_measured_fraction_max 0.743
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.872
_diffrn_reflns_theta_min         3.050
_exptl_absorpt_coefficient_mu    0.176
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_description       block
_exptl_crystal_F_000             456
_exptl_crystal_size_max          0.760
_exptl_crystal_size_mid          0.650
_exptl_crystal_size_min          0.480
_refine_diff_density_max         1.185
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         6101
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.1116
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1053P)^2^+6.4342P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3471
_refine_ls_wR_factor_ref         0.3572
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4701
_reflns_number_total             6101
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b01017_si_002.cif
_cod_data_source_block           wy_29_0m
_cod_database_code               4035588
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              13420
_shelx_hkl_checksum              74625