Information card for entry 2204077

Structure parameters

• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: O=C(/C(=C/c1ccccc1)C)/C(=C/c1ccccc1)C
• Title of publication: 2,4-Dimethyl-1,5-diphenylpenta-1,4-dien-3-one
• Authors of publication: Xiu-Rong Hu; Jian-Ming Gu; Wei-Ming Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1437 - o1438
• a: 10.5362 ± 0.0006 Å
• b: 6.5254 ± 0.0002 Å
• c: 10.6656 ± 0.0004 Å
• α: 90°
• β: 97.79 ± 0.001°
• γ: 90°
• Cell volume: 726.52 ± 0.05 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes