A simple entry towards novel bi- and tricyclic N-oxy-β-lactams by high pressure promoted tandem [4 + 2]/[3 + 2] cycloadditions of enol ethers and β-nitrostyrene
Kuster, George J.; Kalmoua, Faysal; Scheeren, Hans W.; de Gelder, Rene; Chemical Communications  (1999) 855–; doi:10.1039/a901505a

data_7110501
_publ_contact_author
;
        Dr. R. de Gelder
        Crystallography Department
        University of Nijmegen
        Toernooiveld 1
        6525 ED  Nijmegen
        The Netherlands
;
_publ_section_title
;
 A simple entry towards novel bi- and tricyclic N-oxy-\b-lactams by high
 pressure promoted tandem [4 + 2]/[3 + 2] cycloadditions of enol ethers
 and \b-nitrostyrene
;
_journal_issue                   9
_journal_name_full               'Chemical Communications'
_journal_page_first              855
_journal_paper_doi               10.1039/a901505a
_journal_year                    1999
_chemical_formula_sum            'C26 H26 N2 O6'
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_chemical_name_systematic
; 
(2R,3S,3aS,4S,6S)-6-[(4-methoxybenzyl)oxy]-3-nitro-2,4-
diphenylperhydroisoxazolo[2,3-b][1,2]oxazine
;
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_cell_length_c                   14.7752(4)
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_computing_data_collection
;
CAD4 EXPRESS (Enraf-Nonius, 1994)
;
_computing_data_reduction
;
local programs (Smits et al., 1988),
profile analysis (Lehman & Larsen, 1974, Grant & Gabe, 1978),
EMPABS (North et al., 1968),
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PLUTON (Spek, 1993),
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CRUNCH (de Gelder et al., 1993),
;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[\s^2^(Fo^2^)+(0.0577P)^2^+0.2424P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.1113
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                3886
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_reflns_number_total             4471
_reflns_observed_criterion       >2sigma(I)
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The following automatic conversions were performed:
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Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
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'_geom_angle_publ_flag' value 'Y' changed to 'y' according
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named 'cif_core.dic' version 2.4.2 from 2011-04-26 (53 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1183.00(12)
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