Information card for entry 2233132

Structure parameters

• Chemical name: (4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2- dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one
• Formula: C19 H24 Cl N O5
• Calculated formula: C19 H24 Cl N O5
• SMILES: c1(ccccc1)C[C@@H]1COC(=O)N1C(=O)CC[C@@H]([C@@H]1COC(C)(C)O1)Cl
• Title of publication: (4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one
• Authors of publication: Börding, Sandra; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o169
• a: 11.7552 ± 0.0009 Å
• b: 5.9139 ± 0.0004 Å
• c: 13.8789 ± 0.0011 Å
• α: 90°
• β: 109.023 ± 0.009°
• γ: 90°
• Cell volume: 912.16 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes