Information card for entry 2220254

Structure parameters

• Chemical name: 3-[4-(Benzyloxy)phenyl]-1-(2-furyl)-3-hydroxyprop-2-en-1-one
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: c1ccccc1COc1ccc(cc1)C(=CC(c1ccco1)=O)O
• Title of publication: 3-[4-(Benzyloxy)phenyl]-1-(2-furyl)-3-hydroxyprop-2-en-1-one
• Authors of publication: Zheng, Chun-Yang; Wang, Dun-Jia; Fan, Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2326
• a: 5.8927 ± 0.0006 Å
• b: 11.3365 ± 0.0011 Å
• c: 13.3039 ± 0.0013 Å
• α: 112.111 ± 0.003°
• β: 96.687 ± 0.003°
• γ: 98.638 ± 0.003°
• Cell volume: 799.39 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes