Information card for entry 8101006

Structure parameters

• Formula: C20 H20 N4 O6
• Calculated formula: C20 H20 N4 O6
• SMILES: [O-]c1c(/C=[NH+]/[C@H]2[C@@H](/N=C/c3c(O)ccc(N(=O)=O)c3)CCCC2)cc(N(=O)=O)cc1
• Title of publication: Crystal structure of N,N'-di-5-nitrosalicylidene-(R,S)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~
• Authors of publication: Mathuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, G. R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 383 - 384
• a: 9.1865 ± 0.0004 Å
• b: 10.7102 ± 0.0007 Å
• c: 19.865 ± 0.001 Å
• α: 90°
• β: 92.099 ± 0.003°
• γ: 90°
• Cell volume: 1953.2 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No