Information card for entry 2239030

Structure parameters

• Common name: 1-aminocyclobutane carboxylic acid monohydrate
• Chemical name: 1-Azaniumylcyclobutane-1-carboxylate monohydrate
• Formula: C5 H11 N O3
• Calculated formula: C5 H11 N O3
• Title of publication: 1-Azaniumylcyclobutane-1-carboxylate monohydrate
• Authors of publication: Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o217 - o218
• a: 10.25082 ± 0.00019 Å
• b: 6.13117 ± 0.00009 Å
• c: 10.9209 ± 0.0002 Å
• α: 90°
• β: 100.873 ± 0.0018°
• γ: 90°
• Cell volume: 674.05 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes