Information card for entry 2242088

Structure parameters

• Chemical name: (<i>S</i>)-4-[4-(Benzyloxy)benzyl]oxazolidine-2,5-dione
• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• SMILES: O=C1OC(=O)[C@@H](N1)Cc1ccc(OCc2ccccc2)cc1
• Title of publication: Crystal structure of (<i>S</i>)-4-[4-(benzyloxy)benzyl]oxazolidine-2,5-dione
• Authors of publication: Inada, Aya; Kanazawa, Hitoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 553 - 555
• a: 7.7388 ± 0.0005 Å
• b: 5.9128 ± 0.0004 Å
• c: 15.7769 ± 0.001 Å
• α: 90°
• β: 96.39 ± 0.002°
• γ: 90°
• Cell volume: 717.43 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes