Rhodium-Mediated C‒C Bond Activation of 2-(2′,6′-Dialkylarylazo)-4-methylphenols. Elimination and Migration of Alkyl Groups
Baksi, Suparna; Acharyya, Rama; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Nethaji, Munirathinam; Bhattacharya, Samaresh; Organometallics 26 (2007) 6596–; doi:10.1021/om700826t

data_4074021
_publ_section_title
;
 Rhodium-Mediated C--C Bond Activation of
 2-(2&#x2032;,6&#x2032;-Dialkylarylazo)-4-methylphenols. Elimination and
 Migration of Alkyl Groups
;
_journal_issue                   26
_journal_name_full               Organometallics
_journal_page_first              6596
_journal_paper_doi               10.1021/om700826t
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C55 H52 Cl N2 O P2 Rh'
_chemical_formula_weight         957.29
_chemical_name_systematic
;

 ?

;
_space_group_IT_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.139(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.887(5)
_cell_length_b                   12.016(4)
_cell_length_c                   25.410(9)
_cell_measurement_temperature    293(2)
_cell_volume                     4775(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.1766
_diffrn_reflns_av_sigmaI/netI    0.1926
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37548
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.521
_exptl_absorpt_correction_T_max  0.9231
_exptl_absorpt_correction_T_min  0.7267
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.397
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.885
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         9721
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.885
_refine_ls_R_factor_all          0.2075
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.2113
_reflns_number_gt                4197
_reflns_number_total             9721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700826t-file003.cif
_cod_data_source_block           sbn_m
_cod_database_code               4074021