Information card for entry 2236958

Structure parameters

• Chemical name: (<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
• Formula: C21 H18 O4
• Calculated formula: C21 H18 O4
• SMILES: C(=O)(/C=C/c1cc(OC)cc(OC)c1)c1c(O)c2ccccc2cc1
• Title of publication: (<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
• Authors of publication: Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3403
• a: 30.179 ± 0.003 Å
• b: 3.9127 ± 0.0003 Å
• c: 13.7363 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1622 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes