Information card for entry 2011226

Structure parameters

• Chemical name: (4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O1C(=N[C@H]([C@@H]1c1ccccc1)CO)c1ccccc1
• Title of publication: (4<i>S</i>,5<i>S</i>)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline
• Authors of publication: Gzella, Andrzej; Rozwadowska, Maria D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 981 - 982
• a: 4.8995 ± 0.001 Å
• b: 11.33 ± 0.0013 Å
• c: 23.82 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No