Trifluoromethyl-substituted selenium ylide: a broadly applicable electrophilic trifluoromethylating reagent
Ge, Hangming; Shen, Qilong; Organic Chemistry Frontiers 6 (2019) 2205–; doi:10.1039/C8QO01249K

data_1554553
_publ_section_title
;
 Trifluoromethyl-substituted selenium ylide: a broadly applicable
 electrophilic trifluoromethylating reagent
;
_journal_issue                   13
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              2205
_journal_paper_doi               10.1039/C8QO01249K
_journal_volume                  6
_journal_year                    2019
_chemical_formula_sum            'C12 H10 F3 N O6 Se'
_chemical_formula_weight         400.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-11-16 deposited with the CCDC.
2019-01-03 downloaded from the CCDC.
;
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_cell_length_b                   9.877(8)
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0283
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_exptl_absorpt_correction_T_min  0.4196
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
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_exptl_crystal_description       prismatic
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_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^)+(0.0516P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_res_checksum              89415
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