Information card for entry 2300024

Structure parameters

• Common name: gamma-HNIW, gamma-CL20
• Formula: C6 H6 N12 O12
• Calculated formula: C6 H6 N12 O12
• SMILES: C12C3N([C@@H]4[C@@H](N([C@@H]([C@H](N1N(=O)=O)N4N(=O)=O)N2N(=O)=O)N(=O)=O)N3N(=O)=O)N(=O)=O
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2004
• Journal volume: 37
• Pages of publication: 791 - 797
• a: 13.0342 ± 0.0003 Å
• b: 8.1773 ± 0.0002 Å
• c: 14.7465 ± 0.0002 Å
• α: 90°
• β: 108.566 ± 0.001°
• γ: 90°
• Cell volume: 1489.95 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No