Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol Derivatives via Allenylidene Intermediates: Catalytic Use of the Allenylidene Ligand as the C3 Unit
Yoshiaki Nishibayashi; Youichi Inada; Masanobu Hidai; Sakae Uemura; Journal of the American Chemical Society 124 (2002) 7900–7901; doi:10.1021/ja026168x

data_4114939
_publ_section_title
;
 Ruthenium-Catalyzed Cycloaddition of Propargylic Alcohols with Phenol
 Derivatives via Allenylidene Intermediates: Catalytic Use of the
 Allenylidene Ligand as the C3 Unit
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7900
_journal_page_last               7901
_journal_paper_doi               10.1021/ja026168x
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C19 H13 F O '
_chemical_formula_sum            'C19 H13 F O'
_chemical_formula_weight         276.31
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                89.99(2)
_cell_angle_beta                 89.95(2)
_cell_angle_gamma                90.01(2)
_cell_formula_units_Z            7
_cell_length_a                   25.566(8)
_cell_length_b                   11.361(3)
_cell_length_c                   9.734(2)
_cell_measurement_temperature    298.1
_cell_measurement_theta_min      90.0
_cell_volume                     2827.3(13)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR88
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            4717
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.11
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.077
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       356.0(1)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.336
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     204
_refine_ls_number_reflns         1356
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.1610
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0310
_reflns_number_gt                1356
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja026168x_s2.cif
_cod_data_source_block           '_Inada_sample'
_cod_original_cell_volume        2827.1(1)
_cod_original_formula_sum        'C19 H13 F O '
_cod_database_code               4114939