Information card for entry 2202959

Structure parameters

• Chemical name: trans-3-Acetyl-5-benzoyl-2-methyl-4-phenyl-4,5-dihydrofuran
• Formula: C20 H18 O3
• Calculated formula: C20 H18 O3
• SMILES: O1C(=C([C@H]([C@@H]1C(=O)c1ccccc1)c1ccccc1)C(=O)C)C.O1C(=C([C@@H]([C@H]1C(=O)c1ccccc1)c1ccccc1)C(=O)C)C
• Title of publication: <i>trans</i>-3-Acetyl-5-benzoyl-2-methyl-4-phenyl-4,5-dihydrofuran at 150K
• Authors of publication: M. Subha Nandhini; R. V. Krishnakumar; A. Mostad; S. Renuga; S. Selvaraj; S. Perumal; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1321 - o1323
• a: 9.846 ± 0.002 Å
• b: 10.564 ± 0.002 Å
• c: 16.34 ± 0.003 Å
• α: 90°
• β: 113.023 ± 0.002°
• γ: 90°
• Cell volume: 1564.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes