Information card for entry 2212129

Structure parameters

• Chemical name: 1-(2-Furyl)-3-hydroxy-3-(4-phenylphenyl)prop-2-en-1-one
• Formula: C19 H14 O3
• Calculated formula: C19 H14 O3
• SMILES: c1ccccc1c1ccc(cc1)C(=C\C(=O)c1ccco1)\O
• Title of publication: 1-(2-Furyl)-3-hydroxy-3-(4-phenylphenyl)prop-2-en-1-one
• Authors of publication: Chun-Yang Zheng; Ling Fan; Dunjia Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o966 - o967
• a: 9.9489 ± 0.001 Å
• b: 10.4042 ± 0.0011 Å
• c: 16.1706 ± 0.0017 Å
• α: 90.113 ± 0.002°
• β: 100.547 ± 0.003°
• γ: 116.292 ± 0.003°
• Cell volume: 1468.7 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes