Information card for entry 2235361

Structure parameters

• Chemical name: 4-Aminopyridinium 5-carboxypentanoate monohydrate
• Formula: C11 H18 N2 O5
• Calculated formula: C11 H18 N2 O5
• Title of publication: 4-Aminopyridinium 5-carboxypentanoate monohydrate
• Authors of publication: Raj, S. Alfred Cecil; Sinthiya, A.; Varghese, Babu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2181
• a: 11.9874 ± 0.0006 Å
• b: 5.1197 ± 0.0002 Å
• c: 21.5045 ± 0.0009 Å
• α: 90°
• β: 96.498 ± 0.002°
• γ: 90°
• Cell volume: 1311.29 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes