Information card for entry 1501939

Structure parameters

• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: [C@]123[C@H](CCCC(=O)N3CCC2)CC(=O)C1.[C@@]123[C@@H](CCCC(=O)N3CCC2)CC(=O)C1
• Title of publication: Development of the intramolecular Prins cyclization/Schmidt reaction for the construction of the azaspiro[4,4]nonane: application to the formal synthesis of (±)-stemonamine.
• Authors of publication: Chen, Zhi-Hua; Tu, Yong-Qiang; Zhang, Shu-Yu; Zhang, Fu-Min
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 724 - 727
• a: 6.2 ± 0.003 Å
• b: 11.695 ± 0.006 Å
• c: 15.337 ± 0.007 Å
• α: 90°
• β: 91.527 ± 0.007°
• γ: 90°
• Cell volume: 1111.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2436
• Residual factor for significantly intense reflections: 0.1223
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.3353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No