Information card for entry 2224377

Structure parameters

• Chemical name: 2-(1-Propyl-2,6-distyryl-1,4-dihydropyridin-4-ylidene)malononitrile
• Formula: C27 H23 N3
• Calculated formula: C27 H23 N3
• SMILES: n1(c(cc(cc1/C=C/c1ccccc1)=C(C#N)C#N)/C=C/c1ccccc1)CCC
• Title of publication: 2-(1-Propyl-2,6-distyryl-1,4-dihydropyridin-4-ylidene)malononitrile
• Authors of publication: Ha, Kwang; Heo, Joon; Kim, Hyung Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3131
• a: 16.586 ± 0.002 Å
• b: 17.827 ± 0.002 Å
• c: 7.4543 ± 0.0009 Å
• α: 90°
• β: 99.79 ± 0.003°
• γ: 90°
• Cell volume: 2172 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes