Information card for entry 8101005

Structure parameters

• Formula: C20 H20 N4 O6
• Calculated formula: C20 H20 N4 O6
• SMILES: [O-]c1c(\C=[NH+]/[C@H]2[C@H](/[NH+]=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,R)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~
• Authors of publication: Muthuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, Gautam R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 381 - 382
• a: 7.2843 ± 0.0003 Å
• b: 10.8584 ± 0.0008 Å
• c: 24.407 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1930.5 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No