Photoredox-catalyzed oxytrifluoromethylation of allenes: stereoselective synthesis of 2-trifluoromethylated allyl acetates.
Tomita, Ren; Koike, Takashi; Akita, Munetaka; Chemical communications (Cambridge, England) 53 (2017) 4681–4684; doi:10.1039/c7cc01759f

data_7120095
_publ_section_title
;
 Photoredox-catalyzed oxytrifluoromethylation of allenes: stereoselective
 synthesis of 2-trifluoromethylated allyl acetates.
;
_journal_issue                   34
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4681
_journal_page_last               4684
_journal_paper_doi               10.1039/c7cc01759f
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C15 H14 F3 N O2'
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_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
;
2017-02-27 deposited with the CCDC.
2017-03-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 122.0440(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_b                   7.0232(7)
_cell_length_c                   16.6500(17)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
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_diffrn_reflns_av_R_equivalents  0.0119
_diffrn_reflns_av_unetI/netI     0.0134
_diffrn_reflns_Laue_measured_fraction_full 0.971
_diffrn_reflns_Laue_measured_fraction_max 0.995
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_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6656
_diffrn_reflns_point_group_measured_fraction_full 0.971
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         1.643
_exptl_absorpt_coefficient_mu    0.116
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
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_exptl_crystal_description       prism
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: ether/penthane'
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_refine_ls_R_factor_all          0.0339
_refine_ls_R_factor_gt           0.0308
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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^)+(0.0343P)^2^+2.8536P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0781
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_shelxl_version_number           2013-2
_shelx_res_checksum              33127