Photoinduced tandem radical cyclization/heteroarylation of N-allylbromodifluoroacetamides with quinoxalin-2(1H)-ones or coumarins under metal- and photocatalyst-free conditions
Zhao, Wei; Xuan, Liangming; Liu, Yang; Yin, Jiayi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Huang, Jin; Chen, Fener; New Journal of Chemistry 47 (2023) 10744–10750; doi:10.1039/D3NJ01329D

data_7062473
_publ_section_title
;
 Photoinduced tandem radical cyclization/heteroarylation of
 N-allylbromodifluoroacetamides with quinoxalin-2(1H)-ones or coumarins
 under metal- and photocatalyst-free conditions
;
_journal_issue                   22
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10744
_journal_page_last               10750
_journal_paper_doi               10.1039/D3NJ01329D
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C17 H17 F2 N3 O2'
_chemical_formula_weight         333.33
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_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-11-12 deposited with the CCDC.	2023-05-09 downloaded from the CCDC.
;
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_cell_angle_beta                 101.164(6)
_cell_angle_gamma                96.073(6)
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_cell_measurement_theta_min      2.39
_cell_volume                     788.1(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  ccd
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0695
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
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_diffrn_reflns_point_group_measured_fraction_full 0.993
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_exptl_absorpt_coefficient_mu    0.110
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_description       Block
_exptl_crystal_F_000             348
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: n-Hexane/EtOAc'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1323P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1770
_refine_ls_wR_factor_ref         0.2173
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1531
_reflns_number_total             2755
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj01329d2.cif
_cod_data_source_block           1_a
_cod_depositor_comments          'Adding full bibliography for 7062473.cif.'
_cod_database_code               7062473
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.978
_shelx_estimated_absorpt_t_max   0.978
_shelx_res_checksum              15895
_shelx_hkl_checksum              83308