Ruthenium-catalyzed ring-closing metathesis accelerated by long-range steric effect
Tetsuaki Fujihara; Yoshikazu Tomike; Toshiyuki Ohtake; Jun Terao; Yasushi Tsuji; Chem.Commun. 47 (2011) 9699–; doi:10.1039/c1cc13304g

data_7106786
_publ_section_title
;
 Ruthenium-catalyzed ring-closing metathesis accelerated by long-range
 steric effect
;
_journal_name_full               Chem.Commun.
_journal_page_first              9699
_journal_paper_doi               10.1039/c1cc13304g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C92 H80 Cl8 N2 O Ru '
_chemical_formula_sum            'C92 H80 Cl8 N2 O Ru'
_chemical_formula_weight         1614.35
_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                86.648(8)
_cell_angle_beta                 89.389(8)
_cell_angle_gamma                63.635(6)
_cell_formula_units_Z            2
_cell_length_a                   12.7107(2)
_cell_length_b                   14.19830(10)
_cell_length_c                   24.5773(13)
_cell_measurement_reflns_used    9708
_cell_measurement_temperature    153(1)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3966.7(3)
_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    SHELEX97
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_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  0.065
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28920
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_T_max  0.902
_exptl_absorpt_correction_T_min  0.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1668.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.18
_refine_diff_density_min         -2.64
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.321
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1017
_refine_ls_number_reflns         16946
_refine_ls_R_factor_gt           0.0857
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1643
_reflns_number_gt                9891
_reflns_number_total             16946
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1cc13304g.txt
_cod_data_source_block           1-O-TPPh
_cod_original_cell_volume        3966.7(2)
_cod_original_formula_sum        'C92 H80 Cl8 N2 O Ru '
_cod_database_code               7106786