Information card for entry 2239499

Structure parameters

• Chemical name: (1<i>E</i>,4<i>E</i>)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
• Formula: C25 H32 N2 O
• Calculated formula: C25 H32 N2 O
• SMILES: CCN(c1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)N(CC)CC)CC
• Title of publication: (1<i>E</i>,4<i>E</i>)-1,5-Bis[4-(diethylamino)phenyl]penta-1,4-dien-3-one
• Authors of publication: Ruanwas, Pumsak; Chantrapromma, Suchada; Ghabbour, Hazem A.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o589 - o590
• a: 10.429 ± 0.0004 Å
• b: 40.4773 ± 0.0016 Å
• c: 10.8087 ± 0.0005 Å
• α: 90°
• β: 100.262 ± 0.0013°
• γ: 90°
• Cell volume: 4489.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1439
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes