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Publisher: Acta Crystallographica
Journal: Section B
Year/Issue: 2007/03-00

Article (via DOI): 10.1107/S0108768107016965
Compound Class:organic
Date Recorded:2007-02-22

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Data collection parameters

Chemical formula sumC3H6NO4
Chemical formula moiety(C2H6NO2)(C2O4)0.5
Crystal systemmonoclinic
Space group H-MP 21/n
Space group Hall
Data collection temperature300.0

Refinement results

R Factor (Obs)0.0573
R Factor (All)0.1016
Weighted R Factor (Obs)0.1392
Weighted R Factor (All)0.1802

Available Resources

Crystal Components

Moieties

Result files

Raw CML
Complete CML
CIF (cached / original)

Validation

CheckCIF

Images

Ellipsoid

Show no. of unit cells along axis:

a:


b:


c:


Enter Jmol script:


InChI:

InChI=1/C2H5NO2.C2H2O4/c3-1-2(4)5;3-1(4)2(5)6/h1,3H2,(H,4,5);(H,3,4)(H,5,6)/p-1

SMILES:

O=C([O-])C(=O)[O-].[H]OC(=O)C([H])([H])[N+]([H])([H])[H]