Information card for entry 2224061

Structure parameters

• Common name: 1,4-diphenylbutadienylcyanide
• Chemical name: 2,5-Diphenylpenta-2,4-dienenitrile
• Formula: C17 H13 N
• Calculated formula: C17 H13 N
• SMILES: N#CC(=C\C=C\c1ccccc1)/c1ccccc1
• Title of publication: 2,5-Diphenylpenta-2,4-dienenitrile
• Authors of publication: Archana, R.; Balamurugan, A.; Manimekalai, A.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2953
• a: 16.939 ± 0.0005 Å
• b: 7.5869 ± 0.0002 Å
• c: 19.3809 ± 0.0006 Å
• α: 90°
• β: 99.521 ± 0.003°
• γ: 90°
• Cell volume: 2456.42 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes