Information card for entry 2235402

Structure parameters

• Chemical name: [(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5- diyl]dimethanol
• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: c1(ccccc1)N1[C@@H](c2ccccc2)[C@@H]([C@H](CO)O1)CO.c1(ccccc1)N1[C@H](c2ccccc2)[C@H]([C@@H](CO)O1)CO
• Title of publication: [(3<i>R</i>*,4<i>R</i>*,5<i>R</i>*)-2,3-Diphenylisoxazolidine-4,5-diyl]dimethanol
• Authors of publication: Guner, Selahaddin; Şeftalicioglu, Kubra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2061
• a: 8.1254 ± 0.0002 Å
• b: 11.0602 ± 0.0002 Å
• c: 32.4813 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2919.05 ± 0.13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes