Information card for entry 4032441

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• SMILES: O1C(=O)N([C@H]2C3C[C@@H]4CC12C[C@H](C3)C4)C(=O)[C@H](OC)c1ccccc1
• Title of publication: Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.
• Authors of publication: Hrdina, Radim; Larrosa, Marta; Logemann, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 4891 - 4899
• a: 10.5904 ± 0.0004 Å
• b: 6.8559 ± 0.0003 Å
• c: 12.0499 ± 0.0004 Å
• α: 90°
• β: 109.077 ± 0.002°
• γ: 90°
• Cell volume: 826.85 ± 0.06 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 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: 0.0485
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No