Information card for entry 2230623

Structure parameters

• Common name: 5-Aminopentan-1-ol
• Chemical name: 5-Aminopentan-1-ol
• Formula: C5 H13 N O
• Calculated formula: C5 H13 N O
• SMILES: OCCCCCN
• Title of publication: 5-Aminopentan-1-ol
• Authors of publication: Betz, Richard; Gerber, Thomas; Schalekamp, Henk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1841
• a: 10.0973 ± 0.0002 Å
• b: 17.4145 ± 0.0004 Å
• c: 7.0564 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1240.79 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes