Information card for entry 2208172

Structure parameters

• Common name: loureirin B
• Chemical name: 1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: Oc1ccc(cc1)C(=O)CCc1c(OC)cc(OC)cc1OC
• Title of publication: 1-(4-Hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
• Authors of publication: Yong-Bin Lu; Qi-Tai Zheng; Yang Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o469 - o470
• a: 5.62 ± 0.0011 Å
• b: 14.447 ± 0.003 Å
• c: 10.149 ± 0.002 Å
• α: 90°
• β: 96.04 ± 0.03°
• γ: 90°
• Cell volume: 819.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes