Information card for entry 2207583

Structure parameters

• Chemical name: 3-Hydroxy-1-phenyl-3-(3,4,5-trimethoxylphenyl)propan-1-one
• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: O(c1cc(cc(OC)c1OC)C(O)CC(=O)c1ccccc1)C
• Title of publication: 3-Hydroxy-1-phenyl-3-(3,4,5-trimethoxyphenyl)propan-1-one
• Authors of publication: Zhifang Yu; Zhimin Zhao; Bing Zhao; Jianwei Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4075 - o4076
• a: 14.992 ± 0.003 Å
• b: 5.002 ± 0.0011 Å
• c: 21.237 ± 0.004 Å
• α: 90°
• β: 93.375 ± 0.004°
• γ: 90°
• Cell volume: 1589.8 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes