Information card for entry 2217504

Structure parameters

• Chemical name: 2-{3-Cyano-5,5-dimethyl-4-[4-(piperidin-1-yl)buta-1,3-dienyl]- 2,5-dihydrofuran-2-ylidene}malononitrile
• Formula: C19 H20 N4 O
• Calculated formula: C19 H20 N4 O
• SMILES: O1C(C(C=C/C=C/N2CCCCC2)=C(C1=C(C#N)C#N)C#N)(C)C
• Title of publication: 2-{3-Cyano-5,5-dimethyl-4-[4-(piperidin-1-yl)buta-1,3-dienyl]-2,5-dihydrofuran-2-ylidene}malononitrile
• Authors of publication: Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o503 - o503
• a: 15.094 ± 0.004 Å
• b: 18.994 ± 0.005 Å
• c: 13.332 ± 0.004 Å
• α: 90°
• β: 116.193 ± 0.008°
• γ: 90°
• Cell volume: 3429.7 ± 1.7 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1698
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes