Information card for entry 4117409

Structure parameters

• Formula: C12 H24 Cl N
• Calculated formula: C12 H24 Cl N
• SMILES: [Cl-].[NH+]12CCC[C@H]1[C@@H](CC[C@H]2C(C)C)C.[Cl-].[NH+]12CCC[C@@H]1[C@H](CC[C@@H]2C(C)C)C
• Title of publication: A Stereoselective Hydroamination Transform To Access Polysubstituted Indolizidines
• Authors of publication: Sergey V. Pronin; M. Greg Tabor; Daniel J. Jansen; Ryan A. Shenvi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2012 - 2015
• a: 10.7584 ± 0.0009 Å
• b: 7.206 ± 0.0006 Å
• c: 16.0033 ± 0.0014 Å
• α: 90°
• β: 98.264 ± 0.003°
• γ: 90°
• Cell volume: 1227.77 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No