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_4114940
_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         'C17 H16 O3 '
_chemical_formula_sum            'C17 H16 O3'
_chemical_formula_weight         268.31
_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'
_cell_angle_alpha                90
_cell_angle_beta                 94.707(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2616(4)
_cell_length_b                   5.7722(1)
_cell_length_c                   20.9491(3)
_cell_measurement_reflns_used    10035
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     1357.19(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9980
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            12744
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.815
_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    1.313
_exptl_crystal_description       unknown
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.577
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     197
_refine_ls_number_reflns         1719
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
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_reflns_number_gt                1719
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja026168x_s3.cif
_cod_data_source_block           '_trial____________________'
_cod_original_cell_volume        1357.19(5)
_cod_original_formula_sum        'C17 H16 O3 '
_cod_database_code               4114940