Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene transfer and aromatic C-H functionalization.
Xu, Wei; Chen, Ming; Sun, Ning; Liu, Yuanhong; Chemical communications (Cambridge, England) 52 (2016) 11000–11003; doi:10.1039/c6cc05302e

data_7124885
_publ_section_title
;
 Gold-catalyzed cyclization of 1,6-diynyl dithioacetals via 1,7-carbene
 transfer and aromatic C-H functionalization.
;
_journal_issue                   73
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11000
_journal_page_last               11003
_journal_paper_doi               10.1039/c6cc05302e
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C29 H20 S2'
_chemical_formula_weight         432.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-06-14 deposited with the CCDC.
2016-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.291(3)
_cell_angle_gamma                90
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_cell_length_b                   6.3393(8)
_cell_length_c                   21.023(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.112
_cell_measurement_theta_min      4.471
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_computing_cell_refinement       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6745
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
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_refine_ls_R_factor_all          0.0769
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.0598P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3895
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        2097.5(4)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_min   0.948
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_shelxl_version_number           2013-4
_shelx_res_checksum              17714