Gold(I)-catalyzed ring-expanding spiroannulation of cyclopropenones with enynes.
Matsuda, Takanori; Sakurai, Yusuke; The Journal of organic chemistry 79 (2014) 2739–2745; doi:10.1021/jo500045n

data_4029173
_publ_section_title
;
 Gold(I)-catalyzed ring-expanding spiroannulation of cyclopropenones with
 enynes.
;
_journal_issue                   6
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2739
_journal_page_last               2745
_journal_paper_doi               10.1021/jo500045n
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C24 H27 N O4 S'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_gamma                68.528(2)
_cell_formula_units_Z            2
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_cell_length_b                   10.4765(10)
_cell_length_c                   12.2306(12)
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_cell_measurement_theta_min      3.26
_cell_volume                     1073.99(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -9
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_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    0.181
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             452
_refine_diff_density_max         0.477
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_refine_ls_number_reflns         5044
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_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1855P)^2^+0.7412P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1774
_reflns_number_gt                4171
_reflns_number_total             5044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo500045n_si_001.cif
_cod_data_source_block           121207a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4029173