CuBr-mediated radical cascade difluoroacetamidation of acrylamides using α,α-difluoro-α-(TMS)-acetamides
Liu, Kai; Sui, Lin-Chao; Jin, Qiao; Li, Deng-Yuan; Liu, Pei-Nian; Organic Chemistry Frontiers 4 (2017) 1606–; doi:10.1039/C7QO00209B

data_1553768
_publ_section_title
;
 CuBr-mediated radical cascade difluoroacetamidation of acrylamides using
 \a,\a-difluoro-\a-(TMS)-acetamides
;
_journal_issue                   8
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              1606
_journal_paper_doi               10.1039/C7QO00209B
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C22 H26 F2 N2 O2'
_chemical_formula_weight         388.45
_space_group_crystal_system      monoclinic
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_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-2013
_audit_update_record
;
2017-03-15 deposited with the CCDC.
2017-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0376
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6811
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             824
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_refine_diff_density_max         0.242
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_refine_ls_extinction_coef       0.0052(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0381
_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^)+(0.0381P)^2^+0.6660P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0932
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2855
_reflns_number_total             3727
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_dm16853_0m
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1553768
_shelx_estimated_absorpt_t_min   0.981
_shelx_estimated_absorpt_t_max   0.989
_shelxl_version_number           2013-4
_shelx_res_checksum              54257
_shelx_hkl_checksum              97166