Cationic iron-catalyzed intramolecular alkyne-hydroarylation with electron-deficient arenes.
Komeyama, Kimihiro; Igawa, Ryoichi; Takaki, Ken; Chemical communications (Cambridge, England) 46 (2010) 1748–1750; doi:10.1039/b920695g

data_7105276
_publ_section_title
;
 Cationic iron-catalyzed intramolecular alkyne-hydroarylation with
 electron-deficient arenes.
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              1748
_journal_page_last               1750
_journal_paper_doi               10.1039/b920695g
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C20 H12 F2 '
_chemical_formula_sum            'C20 H12 F2'
_chemical_formula_weight         290.31
_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'
_audit_creation_date             2009-04-28
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 107.425(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   5.6736(8)
_cell_length_b                   23.503(3)
_cell_length_c                   10.7482(17)
_cell_measurement_reflns_used    7255
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1367.5(3)
_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    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.036
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13109
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       '0.05x0.07x0.5 mm3'
_exptl_crystal_F_000             600.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.480
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     211
_refine_ls_number_reflns         1638
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                1626
_reflns_number_total             3137
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b920695g.txt
_cod_data_source_block           '_takaki-2009-0428a'
_cod_original_formula_sum        'C20 H12 F2 '
_cod_database_code               7105276