Information card for entry 2212195

Structure parameters

• Chemical name: tert-Butyl 2,2-dimethyl-4-(3-phenyl-2,5-dihydrofuran-2-yl)oxazolidine-3-carboxylate
• Formula: C20 H27 N O4
• Calculated formula: C20 H27 N O4
• SMILES: O1CC=C(c2ccccc2)[C@@H]1[C@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 2,2-dimethyl-4-(3-phenyl-2,5-dihydrofuran-2-yl)oxazolidine-3-carboxylate
• Authors of publication: Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o664 - o665
• a: 9.753 ± 0.0006 Å
• b: 9.3216 ± 0.0008 Å
• c: 10.792 ± 0.007 Å
• α: 90°
• β: 110.462 ± 0.004°
• γ: 90°
• Cell volume: 919.2 ± 0.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0547
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes