Information card for entry 8101421

Structure parameters

• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: O(c1c(/C=C/C(=O)/C=C/c2c(OC)cccc2)cccc1)C
• Title of publication: Crystal structure of 1,5-bis(2-methoxyphenyl)-1,4-pentadien-3-one, C~19~H~18~O~3~
• Authors of publication: Zhou, Hongping; Lai, Chunqiu; Montes, Ingrid
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 53 - 54
• a: 28.541 ± 0.003 Å
• b: 7.2661 ± 0.0008 Å
• c: 16.032 ± 0.002 Å
• α: 90°
• β: 104.607 ± 0.002°
• γ: 90°
• Cell volume: 3217.2 ± 0.5 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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 significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0708
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No