A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons Using trans-Dibromoalkenes via Palladium Catalysis
Rajendra Rathore; Mihaela I. Deselnicu; Carrie L. Burns; Journal of the American Chemical Society 124 (2002) 14832–14833; doi:10.1021/ja027421w

data_4115380
_publ_section_title
;
 A Remarkably Efficient Synthesis of Pure cis-Stilbenoid Hydrocarbons
 Using trans-Dibromoalkenes via Palladium Catalysis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14832
_journal_page_last               14833
_journal_paper_doi               10.1021/ja027421w
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C34 H44'
_chemical_formula_weight         452.69
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.979(2)
_cell_angle_beta                 100.758(2)
_cell_angle_gamma                91.471(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4910(9)
_cell_length_b                   9.8941(10)
_cell_length_c                   16.8648(17)
_cell_measurement_temperature    173(2)
_cell_volume                     1372.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5560
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.061
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.095
_exptl_crystal_density_meas      0
_exptl_crystal_F_000             496
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5560
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0970
_refine_ls_shift/su_max          0.129
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1732P)^2^+1.3058P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2721
_refine_ls_wR_factor_ref         0.2879
_reflns_number_gt                4371
_reflns_number_total             5560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja027421w_s2.cif
_cod_data_source_block           rathc
_cod_database_code               4115380