Information card for entry 2008835

Structure parameters

• Formula: C15 H16 O3
• Calculated formula: C15 H16 O3
• SMILES: O1C(=O)[C@H]([C@@H](C1)C(=O)c1ccccc1)CC(=C)C.O1C(=O)[C@@H]([C@H](C1)C(=O)c1ccccc1)CC(=C)C
• Title of publication: (3<i>S</i>,4<i>R</i>)-4-Benzoyl-3-(2-methyl-2-propenyl)tetrahydrofuran-2-one
• Authors of publication: Thuéry, Pierre; Nierlich, Martine; Roux, Marie-Claude; Wartski, Lya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: IUC9900096
• a: 8.665 ± 0.002 Å
• b: 9.365 ± 0.005 Å
• c: 16.429 ± 0.003 Å
• α: 90°
• β: 99.84 ± 0.01°
• γ: 90°
• Cell volume: 1313.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes