Information card for entry 2215947

Structure parameters

• Chemical name: (S)-3-[(R)-2,4-Dimethylpent-4-enoyl]-4-isopropyl-5,5-diphenyl- 1,3-oxazolidin-2-one
• Formula: C25 H29 N O3
• Calculated formula: C25 H29 N O3
• SMILES: O1C([C@@H](N(C1=O)C(=O)[C@@H](CC(=C)C)C)C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: (<i>S</i>)-3-[(<i>R</i>)-2,4-Dimethylpent-4-enoyl]-4-isopropyl-5,5-diphenyl-1,3-oxazolidin-2-one
• Authors of publication: Tannert, Rene; Schürmann, Markus; Preut, Hans; Arndt, Hans-Dieter; Waldmann, Herbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4381 - o4381
• a: 8.7567 ± 0.0011 Å
• b: 10.0467 ± 0.0017 Å
• c: 24.921 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2192.4 ± 0.6 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes