Information card for entry 2227255

Structure parameters

• Chemical name: (4<i>S</i>)-(-)-4-Benzyl-2,2-dimethyl-3-<i>o</i>-toluoyl-1,3-oxazolidine
• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: O1C(N([C@H](C1)Cc1ccccc1)C(=O)c1c(cccc1)C)(C)C
• Title of publication: (4<i>S</i>)-({-})-4-Benzyl-2,2-dimethyl-3-<i>o</i>-toluoyl-1,3-oxazolidine
• Authors of publication: Gzella, Andrzej K.; Chrzanowska, Maria; Dreas, Agnieszka; Meissner, Zofia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2850
• a: 10.9951 ± 0.0002 Å
• b: 17.2768 ± 0.0003 Å
• c: 9.1899 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.71 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes