Ruthenium-catalysed linear-selective allylic alkylation of allyl acetates.
Kawatsura, Motoi; Ata, Fumio; Wada, Shohei; Hayase, Shuichi; Uno, Hidemitsu; Itoh, Toshiyuki; Chemical communications (Cambridge, England)  (2007) 298–300; doi:10.1039/b614015g

data_7101653
_publ_section_title
;
 Ruthenium-catalysed linear-selective allylic alkylation of allyl
 acetates.
;
_journal_issue                   3
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              298
_journal_page_last               300
_journal_paper_doi               10.1039/b614015g
_journal_year                    2007
_chemical_formula_moiety         'C30 H23 O4 P Ru, C4 H8 O2 '
_chemical_formula_sum            'C34 H31 O6 P Ru'
_chemical_formula_weight         667.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.000
_cell_angle_beta                 90.612(11)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   12.846(2)
_cell_length_b                   16.061(3)
_cell_length_c                   14.566(4)
_cell_measurement_reflns_used    15515
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.0
_cell_volume                     3005.1(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1253
_diffrn_reflns_av_sigmaI/netI    0.0804
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25583
_diffrn_reflns_theta_full        27.38
_diffrn_reflns_theta_max         27.38
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.402
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1368.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6696
_refine_ls_number_restraints     605
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+4.3584P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1735
_reflns_number_gt                4775
_reflns_number_total             6696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b614015g.txt
_cod_data_source_block           Ata
_cod_original_formula_sum        'C34 H31 O6 P Ru '
_cod_database_code               7101653