Information card for entry 2102700

Structure parameters

• Chemical name: 6-amino-1-hexanol
• Formula: C6 H15 N O
• Calculated formula: C6 H15 N O
• SMILES: OCCCCCCN
• Title of publication: Analysis of structures with saturated hydrogen bonding
• Authors of publication: Loehlin, James H.; Okasako, Elizabeth L. N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 132 - 141
• a: 15.4577 ± 0.0012 Å
• b: 17.5074 ± 0.0012 Å
• c: 10.997 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2976.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections: 0.231
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes