Information card for entry 1543218

Structure parameters

• Formula: C22 H23 N O5
• Calculated formula: C22 H23 N O5
• SMILES: c1ccccc1C(=O)OCC(C)(C)N1C(=O)CO[C@H]1CC(=O)c1ccccc1.c1ccccc1C(=O)OCC(C)(C)N1C(=O)CO[C@H]1CC(=O)c1ccccc1.c1ccccc1C(=O)OCC(C)(C)N1C(=O)CO[C@@H]1CC(=O)c1ccccc1
• Title of publication: Synthesis of Oxazolidin-4-ones: Domino O-Alkylation/Aza-Michael/Intramolecular Retro-Claisen Condensation.
• Authors of publication: El Bouakher, Abderrahman; Le Goff, Ronan; Tasserie, Jordan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2383 - 2386
• a: 7.8503 ± 0.0014 Å
• b: 11.0271 ± 0.0019 Å
• c: 17.767 ± 0.003 Å
• α: 75.302 ± 0.007°
• β: 81.673 ± 0.008°
• γ: 89.125 ± 0.008°
• Cell volume: 1471.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No