Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides: Proof of the Structures for Four Diastereoisomeric [3+2] Cycloadducts
Breu, Josef; Range, Klaus-Jürgen; Weber, Andreas; Sauer, Jürgen; Acta Crystallographica Section C 54 (1998) 509–513; doi:10.1107/S010827019701439X

data_2007174
_publ_section_title
;
 Nonstereospecific 1,3-Dipolar Cycloaddition Reactions of Azomethine
 Ylides: Proof of the Structures for Four Diastereoisomeric [3+2]
 Cycloadducts
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              509
_journal_page_last               513
_journal_paper_doi               10.1107/S010827019701439X
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C29 H32 N4 O'
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_chemical_name_systematic
;
c-2-dimethylamino-r-1,1,5-trimethyl-6-(4-methyl-benzoyl)-t-7a-p-tolyl-
1,2,5,7a-tetrahydro-pyrrolizine-3,3-dicarbonitrile
;
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'SIR92 (Altomare, Cascarano, Giacovazzo & Guagliardi, 1993)'
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;
 ?
;
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_exptl_crystal_density_meas      ?
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'w = 1/[\s^2^(Fo^2^)+(0.0689P)^2^]  where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_obs         .1016
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_cod_data_source_file            jz1241.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 'not measured' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0689P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0689P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        ' C29 H32 N4 O'
_cod_database_code               2007174