Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.
Duan, Yaya; Zhou, Bin; Lin, Jin-Hong; Xiao, Ji-Chang; Chemical communications (Cambridge, England) 51 (2015) 13127–13130; doi:10.1039/c5cc04991a

data_7117628
_publ_section_title
;
 Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.
;
_journal_issue                   66
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              13127
_journal_page_last               13130
_journal_paper_doi               10.1039/c5cc04991a
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C17 H13 F3 N2 O2 S'
_chemical_formula_weight         366.35
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-02-09 deposited with the CCDC.
2015-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_theta_min      4.502
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
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_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
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_exptl_absorpt_correction_T_max  0.7457
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_extinction_coef       0.0041(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3430
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_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0579
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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^)+(0.0739P)^2^+1.3235P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1363
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2725
_reflns_number_total             3430
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               7117628
_shelxl_version_number           2013-4
_shelx_res_checksum              11173