Information card for entry 4022569

Structure parameters

• Formula: C11 H22 Cl N
• Calculated formula: C11 H22 Cl N
• SMILES: [NH+]12CC[C@@H](C[C@@H]1CC[C@@H](C2)C)C.[Cl-].[NH+]12CC[C@H](C[C@H]1CC[C@H](C2)C)C.[Cl-]
• Title of publication: Determining the Scope of the Organolanthanide-Catalyzed, Sequential Intramolecular Amination/Cyclization Reaction: Formation of Substituted Quinolizidines, Indolizidines, and Pyrrolizidines
• Authors of publication: Gary A. Molander; Shawn K. Pack
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 9214 - 9220
• a: 10.515 ± 0.003 Å
• b: 7.061 ± 0.002 Å
• c: 16.081 ± 0.004 Å
• α: 90°
• β: 97.273 ± 0.005°
• γ: 90°
• Cell volume: 1184.4 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No