Ruthenium-Catalyzed Propargylation of Aromatic Compounds with Propargylic Alcohols
Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura; Journal of the American Chemical Society 124 (2002) 11846–11847; doi:10.1021/ja027023t

data_4115186
_publ_section_title
;
 Ruthenium-Catalyzed Propargylation of Aromatic Compounds with Propargylic
 Alcohols
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11846
_journal_page_last               11847
_journal_paper_doi               10.1021/ja027023t
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C18 H18 O3 '
_chemical_formula_sum            'C18 H18 O3'
_chemical_formula_weight         282.34
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.52(1)
_cell_angle_beta                 92.459(9)
_cell_angle_gamma                98.35(2)
_cell_formula_units_Z            4
_cell_length_a                   8.573(3)
_cell_length_b                   8.613(3)
_cell_length_c                   21.722(7)
_cell_measurement_reflns_used    7110
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.6
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_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 0.6795
_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  0.070
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            6690
_diffrn_reflns_theta_full        225.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.961
_exptl_absorpt_correction_T_min  0.043
_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    1.184
_exptl_crystal_description       block
_exptl_crystal_size_max          1.20
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.50
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   5.424
_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         2771
_refine_ls_R_factor_gt           0.1080
_refine_ls_shift/su_max          0.0200
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
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_reflns_number_gt                2771
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja027023t_s2.cif
_cod_data_source_block           '_yoshikawa________________'
_cod_original_cell_volume        1584.4(8)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H18 O3 '
_cod_database_code               4115186