Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis: Step-Economical Synthesis of α-CF2H-Substituted Ketones in Flow
Nakayama, Yoshiki; Ando, Gaku; Abe, Manabu; Koike, Takashi; Akita, Munetaka; ACS Catalysis 9 (2019) 6555–; doi:10.1021/acscatal.9b01312

data_4514810
_publ_section_title
;
 Keto-Difluoromethylation of Aromatic Alkenes by Photoredox Catalysis:
 Step-Economical Synthesis of \a-CF2H-Substituted Ketones in Flow
;
_journal_issue                   7
_journal_name_full               'ACS Catalysis'
_journal_page_first              6555
_journal_paper_doi               10.1021/acscatal.9b01312
_journal_volume                  9
_journal_year                    2019
_chemical_formula_sum            'C10 H10 F2 O2'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_length_c                   10.222(2)
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 0.978
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         2.096
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
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_exptl_crystal_description       platet
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_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.011
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_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         1593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0448P)^2^+0.3794P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           YN148_2_0m
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_shelx_hkl_checksum              1524