A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on a Tandem Three-Component [3 + 2] Cycloaddition of α-Cinnamoyl Ketene-S,S-acetals with Oxalyl Chloride
Yu-Long Zhao; Li Chen; Shao-Chun Yang; Cui Tian; Qun Liu; Journal of Organic Chemistry 74 (2009) 5622–5625; doi:10.1021/jo900764s

data_4024683
_publ_section_title
;
A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on
a Tandem Three-Component [3 + 2] Cycloaddition of \a-Cinnamoyl
Ketene-S,S-acetals with Oxalyl Chloride
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5622
_journal_page_last               5625
_journal_paper_doi               10.1021/jo900764s
_journal_volume                  74
_journal_year                    2009
_chemical_formula_sum            'C28 H30 O6 S4'
_chemical_formula_weight         590.76
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_cell_length_c                   18.635(2)
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_cell_measurement_theta_min      1.51
_cell_volume                     1496.8(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.942
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_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.311
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_exptl_crystal_description       block
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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^)+(0.0709P)^2^+0.5773P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1419
_refine_ls_wR_factor_ref         0.1648
_reflns_number_gt                3867
_reflns_number_total             5760
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo900764s_si_001.cif
_cod_data_source_block           ra187m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4024683