Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative homodimerization of ortho-alkynylbenzaldehydes.
Ruch, Aaron A.; Kong, Fanji; Nesterov, Vladimir N.; Slaughter, LeGrande M; Chemical communications (Cambridge, England) 52 (2016) 14133–14136; doi:10.1039/c6cc08132k

data_7125277
_publ_section_title
;
 Tetracyclic dihydronaphthalene derivatives via gold-catalyzed aminative
 homodimerization of ortho-alkynylbenzaldehydes.
;
_journal_issue                   98
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              14133
_journal_page_last               14136
_journal_paper_doi               10.1039/c6cc08132k
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C48 H62 Au2 Cl P2, F6 Sb, C2 H4 Cl2'
_chemical_formula_sum            'C50 H66 Au2 Cl3 F6 P2 Sb'
_chemical_formula_weight         1465.00
_chemical_name_common
'chloride-bridge cyclohexyl-Johnphos-gold(I) dimer, SbF6- salt'
_chemical_name_systematic
'mu-chlorobis[(2-biphenyldicyclohexylphosphine)gold(I)] hexafluoroantimonate'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_audit_update_record
;
2016-10-06 deposited with the CCDC.
2016-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                100.2770(10)
_cell_angle_beta                 96.4260(10)
_cell_angle_gamma                115.8120(10)
_cell_formula_units_Z            2
_cell_length_a                   13.2790(6)
_cell_length_b                   14.4620(7)
_cell_length_c                   15.6401(12)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.07
_cell_measurement_theta_min      2.23
_cell_volume                     2598.8(3)
_computing_cell_refinement       'APEX2 (Bruker-AXS, 2007)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2007)'
_computing_data_reduction        'APEX2 (Bruker-AXS, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Apex-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34962
_diffrn_reflns_theta_full        27.08
_diffrn_reflns_theta_max         27.08
_diffrn_reflns_theta_min         1.62
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    6.418
_exptl_absorpt_correction_T_max  0.3572
_exptl_absorpt_correction_T_min  0.2862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.872
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1420
_exptl_crystal_recrystallization_method
'slow diff of pentane into 1,2-dichloroethane soln'
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.410
_refine_diff_density_min         -1.228
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       0.00068(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         11422
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0450P)^2^+1.3000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0829
_reflns_number_gt                10432
_reflns_number_total             11422
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6cc08132k2.cif
_cod_data_source_block           cmpd6_aar070
_cod_database_code               7125277