Information card for entry 7051167

Structure parameters

• Formula: C12 H16 N2
• Calculated formula: C12 H16 N2
• SMILES: [C@@](C#N)([C@@](C#N)(C)C1CC1)(C)C1CC1
• Title of publication: Conformational Analysis of Meso- and (±)- 2,3-Dicyano-2,3-Dicyclopropylbutane and 1,2-Dicyanotetracyclopropylethane
• Authors of publication: Yu-Lin Lam; Ming Wah Wong; Hsing Hua Huang; Eping Liang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 7.3831 ± 0.0007 Å
• b: 8.2193 ± 0.0008 Å
• c: 9.7902 ± 0.0009 Å
• α: 90°
• β: 100.292 ± 0.002°
• γ: 90°
• Cell volume: 584.55 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1817
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No