Information card for entry 1512027

Structure parameters

• Formula: C16 H28 Cl N O
• Calculated formula: C16 H28 Cl N O
• SMILES: [C@H]1(CC(=O)[C@H]2CCCC[C@@]32CCC[NH+]13)CCCC.[Cl-]
• Title of publication: Catalytic, Asymmetric Indolizidinone Aza-Quaternary Stereocenter Synthesis: Expedient Synthesis of the Cylindricine Alkaloid Core
• Authors of publication: Dalton, Derek M.; Rovis, Tomislav
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2346
• a: 6.9763 ± 0.0005 Å
• b: 13.1038 ± 0.001 Å
• c: 17.5908 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1608.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No