Information card for entry 8101497

Structure parameters

• Formula: C26 H34 N8 O23
• Calculated formula: C26 H30 N8 O23
• SMILES: C1(=O)C(=O)C([O-])=C1O.C1(=O)C(=O)C([O-])=C1O.C(=O)([C@H](CCONC(=[NH2+])N)[NH3+])O.O
• Title of publication: Crystal structure of L-canavanine hydrogensquarate semihydrate, C26H34N8O23
• Authors of publication: Kolev, Tsonko; Glavcheva, Zornitza; Stahl, Rainer; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 193 - 194
• a: 6.812 ± 0.002 Å
• b: 31.203 ± 0.007 Å
• c: 8.162 ± 0.001 Å
• α: 90°
• β: 101.93 ± 0.02°
• γ: 90°
• Cell volume: 1697.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1053
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No