Information card for entry 2213244

Structure parameters

• Chemical name: 1,3-Bis(3,4-dimethoxyphenyl)prop-2-en-1-one
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O(c1cc(ccc1OC)/C=C/C(=O)c1cc(OC)c(OC)cc1)C
• Title of publication: 1,3-Bis(3,4-dimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2613 - o2613
• a: 9.3543 ± 0.0002 Å
• b: 7.9014 ± 0.0002 Å
• c: 24.0405 ± 0.0006 Å
• α: 90°
• β: 106.148 ± 0.002°
• γ: 90°
• Cell volume: 1706.78 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1628
• 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