Information card for entry 2210046

Structure parameters

• Chemical name: (3'R, 4S)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4- phenyloxazolidin-2-one
• Formula: C26 H31 N O3
• Calculated formula: C26 H31 N O3
• SMILES: O=C(N1C(=O)OC(C)(C)[C@@H]1c1ccccc1)C[C@@H](c1ccccc1)C1CCCCC1
• Title of publication: (3'<i>R</i>,4<i>S</i>)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4-phenyloxazolidin-2-one
• Authors of publication: Yang, Rui; Nie, Lei; Zhang, Mei-Su; Wang, Juan; Lin, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3618 - o3619
• a: 10.1004 ± 0.0002 Å
• b: 14.8636 ± 0.0003 Å
• c: 15.5876 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.14 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0504
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes