Information card for entry 2016798

Structure parameters

• Common name: homopiperidine
• Chemical name: hexamethyleneimine
• Formula: C6 H13 N
• Calculated formula: C6 H13 N
• Title of publication: Azetidine, pyrrolidine and hexamethyleneimine at 170K
• Authors of publication: Bond, Andrew D.; Davies, John E.; Parsons, Simon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o543 - o546
• a: 11.0201 ± 0.0014 Å
• b: 10.3027 ± 0.0013 Å
• c: 12.7322 ± 0.0015 Å
• α: 90°
• β: 114.11 ± 0.005°
• γ: 90°
• Cell volume: 1319.5 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• 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: 0.104
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes