Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling
Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke; Chemical Science  (2021) –; doi:10.1039/D1SC05273J

data_1565315
_publ_section_title
;
 Construction of sterically congested oxindole derivatives via
 visible-light-induced radical-coupling
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC05273J
_journal_year                    2021
_chemical_formula_sum            'C27 H20 F9 N O'
_chemical_formula_weight         545.44
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-18 deposited with the CCDC.	2021-11-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.915(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4206(4)
_cell_length_b                   13.3798(5)
_cell_length_c                   19.6176(8)
_cell_measurement_reflns_used    9187
_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      72.42
_cell_measurement_theta_min      4.59
_cell_volume                     2427.98(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_diffrn_ambient_temperature      151(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Photon II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30006
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.440
_diffrn_reflns_theta_min         4.023
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  0.9240
_exptl_absorpt_correction_T_min  0.7997
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_description       flake
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.181
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.108
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         4785
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0400
_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^)+(0.0425P)^2^+1.2625P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1011
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4268
_reflns_number_total             4785
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1sc05273j2.cif
_cod_data_source_block           zhk008
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1565315
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.810
_shelx_estimated_absorpt_t_max   0.880
_shelx_res_checksum              88106
_shelx_hkl_checksum              26960