Palladium-Catalyzed Double Alkylation of 3-Aryl-2-fluoroallyl Esters with Malonate Nucleophiles through the Carbon-Fluorine Bond Cleavage.
Yamamoto, Mitsuaki; Hayashi, Shunsuke; Isa, Kazuki; Kawatsura, Motoi; Organic letters 16 (2014) 700–703; doi:10.1021/ol500121z

data_1513474
_publ_section_title
;
 Palladium-Catalyzed Double Alkylation of 3-Aryl-2-fluoroallyl Esters with
 Malonate Nucleophiles through the Carbon-Fluorine Bond Cleavage.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              700
_journal_page_last               703
_journal_paper_doi               10.1021/ol500121z
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C21 H26 O8 '
_chemical_formula_sum            'C21 H26 O8'
_chemical_formula_weight         406.43
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.726(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   21.692(4)
_cell_length_b                   8.7516(16)
_cell_length_c                   22.332(3)
_cell_measurement_reflns_used    26689
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4151.0(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.100
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1728.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
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_refine_diff_density_max         0.58
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_R_factor_gt           0.0945
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           '_Hayashi__________________'
_cod_original_cell_volume        4151.1(12)
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