Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.
Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan; Journal of the American Chemical Society 140 (2018) 4782–4786; doi:10.1021/jacs.8b01513

data_4132093
_publ_section_title
;
 Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and
 Intermolecular Difunctionalization of Alkenes: Efficient Construction of
 C-SCF<sub>3</sub> Stereogenic Molecules.
;
_journal_issue                   14
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4782
_journal_page_last               4786
_journal_paper_doi               10.1021/jacs.8b01513
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C18 H18 F4 S'
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_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
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;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
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_diffrn_reflns_av_unetI/netI     0.0287
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -6
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    2.132
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear whiteish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
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_refine_ls_abs_structure_details
;
 Flack x determined using 1247 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.009(17)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0653P)^2^+0.6302P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
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_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                3139
_reflns_number_total             3180
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1
_cod_database_code               4132093
_shelxl_version_number           2013-2
_shelx_estimated_absorpt_t_max   0.920
_shelx_estimated_absorpt_t_min   0.361
_olex2_refinement_description
;
;
_shelx_res_checksum              11493
_shelx_hkl_checksum              54856
_olex2_submission_special_instructions 'No special instructions were received'