Atom-efficient synthesis of α-alkylidene-N-furylimines via catalytic vinylcarbene-transfer reactions to carbonyl-ene-nitrile compounds
Murai, Masahito; Yoshida, Shotaro; Miki, Koji; Ohe, Kouichi; Chemical Communications 46 (2010) 3366–3368; doi:10.1039/b924752a

data_7105492
_publ_section_title
;
 Atom-efficient synthesis of \a-alkylidene-N-furylimines via catalytic
 vinylcarbene-transfer reactions to carbonyl-ene-nitrile compounds
;
_journal_issue                   19
_journal_name_full               'Chemical Communications'
_journal_page_first              3366
_journal_page_last               3368
_journal_paper_doi               10.1039/b924752a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C27 H16 F5 N O3 '
_chemical_formula_sum            'C27 H16 F5 N O3'
_chemical_formula_weight         497.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.905(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   14.794(6)
_cell_length_b                   7.433(3)
_cell_length_c                   20.806(8)
_cell_measurement_reflns_used    4741
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2189.0(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 29.26
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.067
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14604
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.127
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1016.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.92
_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     341
_refine_ls_number_reflns         4912
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0020Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1412
_reflns_number_gt                1598
_reflns_number_total             4910
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b924752a.txt
_cod_data_source_block           1
_cod_original_formula_sum        'C27 H16 F5 N O3 '
_cod_database_code               7105492