Information card for entry 2237590

Structure parameters

• Chemical name: (<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C22 H20 O5
• Calculated formula: C22 H20 O5
• SMILES: C(=O)(/C=C/c1c(OC)cc(OC)c(OC)c1)c1c(O)c2ccccc2cc1
• Title of publication: (<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o542
• a: 9.7919 ± 0.0012 Å
• b: 13.7559 ± 0.0018 Å
• c: 13.2761 ± 0.0017 Å
• α: 90°
• β: 96.165 ± 0.003°
• γ: 90°
• Cell volume: 1777.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes