Information card for entry 2213517

Structure parameters

• Chemical name: 4,4'-(p-Phenylenediimino)dipent-3-en-2-one
• Formula: C16 H20 N2 O2
• Calculated formula: C16 H20 N2 O2
• SMILES: CC(=C/C(=O)C)/Nc1ccc(cc1)N/C(=C\C(=O)C)C
• Title of publication: 4,4'-(<i>p</i>-Phenylenediimino)dipent-3-en-2-one
• Authors of publication: Su, Qing; Wu, Qiao-Lin; Li, Guang-Hua; Gao, Wei; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2052 - o2053
• a: 10.675 ± 0.002 Å
• b: 8.8373 ± 0.0018 Å
• c: 14.995 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1414.6 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes