Information card for entry 2211154

Structure parameters

• Chemical name: (3'S,4R)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• Formula: C25 H29 N O3
• Calculated formula: C25 H29 N O3
• SMILES: O=C(N1C(=O)OC([C@H]1c1ccccc1)(C)C)C[C@H](c1ccccc1)C1CCCC1
• Title of publication: (3'<i>S</i>,4<i>R</i>)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
• Authors of publication: Lei Nie; Rui Yang; Jing Cheng; Sheng-Jiao Yan; Jun Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5132 - o5133
• a: 10.2911 ± 0.0002 Å
• b: 14.0805 ± 0.0003 Å
• c: 15.6118 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2262.21 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes