Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed Alkenylations of α-Oxoketene Dithioacetals with Aldehydes.
Liu, Changhui; Gu, Yanlong; The Journal of organic chemistry 79 (2014) 9619–9627; doi:10.1021/jo5017234

data_4030005
_publ_section_title
;
 Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed
 Alkenylations of \a-Oxoketene Dithioacetals with Aldehydes.
;
_journal_issue                   20
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              9619
_journal_page_last               9627
_journal_paper_doi               10.1021/jo5017234
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C25 H18 O S2'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_b                   10.490(4)
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_computing_data_reduction        'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'Bruker APEX II area detector'
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_diffrn_reflns_limit_l_min       -23
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_exptl_absorpt_coefficient_mu    0.275
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_exptl_absorpt_correction_T_min  0.9319
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_method     none
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_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^+0.0921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                2794
_reflns_number_total             3573
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo5017234_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4030005.cif.
;
_cod_original_cell_volume        2027.5(13)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4030005