Information card for entry 2210983

Structure parameters

• Chemical name: 1,5-Bis(4-methylphenyl)-3-(2-furanyl)pentane-1,5-dione
• Formula: C23 H22 O3
• Calculated formula: C23 H22 O3
• SMILES: o1cccc1C(CC(=O)c1ccc(cc1)C)CC(=O)c1ccc(cc1)C
• Title of publication: 3-(2-Furyl)-1,5-bis(4-methylphenyl)pentane-1,5-dione
• Authors of publication: Huang, Xian-Qiang; Tan, Yong-Xin; Dou, Jian-Min; Li, Da-Cheng; Zhang, Chun-Shui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5257 - o5258
• a: 15.831 ± 0.007 Å
• b: 11.575 ± 0.005 Å
• c: 10.215 ± 0.004 Å
• α: 90°
• β: 91.08 ± 0.007°
• γ: 90°
• Cell volume: 1871.5 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes