Rhodium-catalysed anomalous dimerization of styrenes involving the cleavage of the ortho C-H bond.
Tobisu, Mamoru; Hyodo, Isao; Onoe, Masahiro; Chatani, Naoto; Chemical communications (Cambridge, England)  (2008) 6013–6015; doi:10.1039/b806285d

data_7103546
_publ_section_title
;
 Rhodium-catalysed anomalous dimerization of styrenes involving the
 cleavage of the ortho C-H bond.
;
_journal_issue                   45
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              6013
_journal_page_last               6015
_journal_paper_doi               10.1039/b806285d
_journal_year                    2008
_chemical_formula_sum            'C44 H32'
_chemical_formula_weight         560.70
_chemical_name_common
(E)-9-(4-(5-(anthracen-9-yl)-2-ethylstyryl)phenyl)anthracene
_chemical_name_systematic
; (E)-9-(4-(5-(anthracen-9-yl)-2-ethylstyryl)phenyl)anthracene

;
_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                96.9557(7)
_cell_angle_beta                 96.5045(7)
_cell_angle_gamma                100.6850(7)
_cell_formula_units_Z            4
_cell_length_a                   11.4861(2)
_cell_length_b                   12.8423(2)
_cell_length_c                   21.3357(4)
_cell_measurement_reflns_used    11498
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      71.75
_cell_measurement_theta_min      3.54
_cell_volume                     3039.99(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_sigmaI/netI    0.0946
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57689
_diffrn_reflns_theta_full        71.75
_diffrn_reflns_theta_max         71.75
_diffrn_reflns_theta_min         3.54
_exptl_absorpt_coefficient_mu    0.523
_exptl_absorpt_correction_T_max  0.9495
_exptl_absorpt_correction_T_min  0.9163
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prizm
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     807
_refine_ls_number_reflns         11498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.1729
_refine_ls_R_factor_gt           0.0898
_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^)+(0.1536P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2162
_refine_ls_wR_factor_ref         0.2954
_reflns_number_gt                4723
_reflns_number_total             11498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806285d.txt
_cod_data_source_block
(E)-9-(4-(5-(anthracen-9-yl)-2-ethylstyryl)phenyl)anthracene
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103546