Information card for entry 7106503

Structure parameters

• Formula: C7 H16 Cl N O4
• Calculated formula: C7 H16 Cl N O4
• SMILES: [NH2+]1[C@H](C(=O)O)C[C@@H](O)C[C@H]1C.[Cl-].O
• Title of publication: A one-pot, reductive amination/6-endo-trig cyclisation for the stereoselective synthesis of 6-substituted-4-oxopipecolic acids
• Authors of publication: Fowler, Lindsay S.; Thomas, Lynne H.; Ellis, David; Sutherland, Andrew
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 6569 - 6571
• a: 8.2209 ± 0.0002 Å
• b: 8.9923 ± 0.0003 Å
• c: 13.813 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1021.12 ± 0.05 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: 0.0352
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No