Copper-Catalyzed Direct C-2 Difluoromethylation of Furans and Benzofurans: Access to C-2 CF2H Derivatives.
Belhomme, Marie-Charlotte; Poisson, Thomas; Pannecoucke, Xavier; The Journal of organic chemistry 79 (2014) 7205–7211; doi:10.1021/jo5010907

data_4029678
_publ_section_title
;
 Copper-Catalyzed Direct C-2 Difluoromethylation of Furans and
 Benzofurans: Access to C-2 CF2H Derivatives.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7205
_journal_page_last               7211
_journal_paper_doi               10.1021/jo5010907
_journal_volume                  79
_journal_year                    2014
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C19 H14 F2 O5'
_chemical_formula_sum            'C19 H14 F2 O5'
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_cell_angle_alpha                80.701(2)
_cell_angle_beta                 89.547(2)
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_cell_formula_units_Z            2
_cell_length_a                   7.4734(12)
_cell_length_b                   7.5100(12)
_cell_length_c                   15.983(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     819.9(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0191
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            6613
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_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.12
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             372
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_exptl_crystal_size_min          0
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     236
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_refine_ls_R_factor_all          0.0549
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_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0728P)^2^+0.1524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1384
_reflns_number_gt                2766
_reflns_number_total             3329
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            jo5010907_si_001.cif
_cod_data_source_block           mbh
_cod_depositor_comments          'Adding full bibliography for 4029678.cif.'
_cod_database_code               4029678