Photocatalytically switchable chemoselective difluoramidation of olefins for the synthesis of diversified difluoro-γ-lactams.
Cao, Tian-Zheng; Nie, Cai-Jian; Li, Jing; Liu, Ming-Dong; Wang, Zi-Tong; Kong, Yi-Fei; Wang, Xin; Sun, Yuan-Yuan; Li, Jin-Heng; Zhu, Yan-Ping; Chemical communications (Cambridge, England) 61 (2025) 5150–5153; doi:10.1039/d5cc00661a

data_7134304
_publ_section_title
;
 Photocatalytically switchable chemoselective difluoramidation of olefins
 for the synthesis of diversified difluoro-&#x3b3;-lactams.
;
_journal_issue                   27
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5150
_journal_page_last               5153
_journal_paper_doi               10.1039/d5cc00661a
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C11 H8 Br F2 N O'
_chemical_formula_weight         288.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2024-12-22 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.845(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.396(10)
_cell_length_b                   6.177(3)
_cell_length_c                   16.234(7)
_cell_measurement_reflns_used    1970
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.14
_cell_measurement_theta_min      2.66
_cell_volume                     2177.6(17)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_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  0.0305
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6425
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         1.876
_exptl_absorpt_coefficient_mu    3.779
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_description       block
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.433
_refine_diff_density_min         -0.901
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2490
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0442
_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^)+(0.0600P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1137
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1787
_reflns_number_total             2490
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc00661a2.cif
_cod_data_source_block           XY234_0m
_cod_depositor_comments          'Adding full bibliography for 7134304.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7134304
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.534
_shelx_estimated_absorpt_t_max   0.583
_shelx_res_checksum              57988
_shelx_hkl_checksum              50733