Information card for entry 2208100

Structure parameters

• Chemical name: cyclobutylamine hemihydrate
• Formula: C8 H20 N2 O
• Calculated formula: C4 H10 N O0.5
• SMILES: O.NC1CCC1
• Title of publication: Cyclobutylamine hemihydrate
• Authors of publication: Allan, D. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o751 - o752
• a: 14.048 ± 0.006 Å
• b: 5.209 ± 0.002 Å
• c: 14.489 ± 0.006 Å
• α: 90°
• β: 97.369 ± 0.004°
• γ: 90°
• Cell volume: 1051.5 ± 0.7 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 4
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.6813 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No