Information card for entry 4028912

Structure parameters

• Formula: C17 H24 N2 O4
• Calculated formula: C17 H24 N2 O4
• SMILES: N1(Cc2ccc(OC)cc2)C(=O)CC[C@H](O)[C@@H]1NC(=O)C(C)C.N1(Cc2ccc(OC)cc2)C(=O)CC[C@@H](O)[C@H]1NC(=O)C(C)C
• Title of publication: Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines
• Authors of publication: Morgan, Ian R.; Yazici, Arife; Pyne, Stephen G.; Skelton, Brian W.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2943 - 2946
• a: 9.2263 ± 0.0005 Å
• b: 9.6271 ± 0.0005 Å
• c: 10.3118 ± 0.0004 Å
• α: 104.491 ± 0.004°
• β: 110.487 ± 0.004°
• γ: 91.622 ± 0.004°
• Cell volume: 823.89 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No