Information card for entry 8101522

Structure parameters

• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: O(c1ccc(/C=C/C(=O)/C=C/c2ccc(OC)cc2)cc1)C
• Title of publication: Crystal structure of 1,5-bis(4-methoxyphenyl)-1,4-pentadien-3-one, C~19~H~18~O~3~
• Authors of publication: Shan, Yongkui; Zhou, Hongping; Huang, Songping D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 3
• Pages of publication: 381 - 382
• a: 6.1829 ± 0.0006 Å
• b: 34.03 ± 0.003 Å
• c: 7.4127 ± 0.0007 Å
• α: 90°
• β: 90.045 ± 0.002°
• γ: 90°
• Cell volume: 1559.7 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0859
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No