Information card for entry 2211849

Structure parameters

• Chemical name: 3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one
• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: COc1ccc2c(c1)ccc(c2)/C(=C\C(=O)c1ccccc1)O
• Title of publication: 3-Hydroxy-3-(6-methoxynaphthalen-2-yl)-1-phenylprop-2-en-1-one
• Authors of publication: Chun-Yang Zheng; Ling Fan; Dun-Jia Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o396 - o397
• a: 11.213 ± 0.002 Å
• b: 8.1919 ± 0.0016 Å
• c: 33.739 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3099.1 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes