Information card for entry 2300020

Structure parameters

• Common name: gamma-HNIW, gamma-CL20
• Formula: C6 H6 N12 O12
• Calculated formula: C6 H6 N12 O12
• SMILES: N1(C2N([C@@H]3[C@H]1N([C@H]1[C@@H](N3N(=O)=O)N(C2N1N(=O)=O)N(=O)=O)N(=O)=O)N(=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: 13.2272 ± 0.0007 Å
• b: 8.1692 ± 0.0005 Å
• c: 14.892 ± 0.0008 Å
• α: 90°
• β: 109.164 ± 0.001°
• γ: 90°
• Cell volume: 1520 ± 0.2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 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: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1047
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No