Information card for entry 2215646

Structure parameters

• Common name: loureirin A
• Chemical name: 3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• SMILES: Oc1ccc(cc1)C(=O)CCc1ccc(OC)cc1OC
• Title of publication: Loureirin A
• Authors of publication: Yang, Shi-Ying; Lu, Yong-Bin; Zheng, Qi-Tai; Lu, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3927 - o3927
• a: 8.175 ± 0.0007 Å
• b: 12.8971 ± 0.0008 Å
• c: 15.241 ± 0.0006 Å
• α: 73.509 ± 0.01°
• β: 86.259 ± 0.012°
• γ: 74.206 ± 0.01°
• Cell volume: 1482.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes