Information card for entry 3000097

Structure parameters

• Chemical name: 2-(1-piperidinium)ethanol p-hydroxybenzoate hydrate
• Formula: C14 H23 N O5
• Authors of publication: Roszak; Katrusiak, Andrzej; Dega-Szafran, Zofia
• Journal of publication: To be published
• a: 14.532 ± 0.004 Å
• b: 8.0118 ± 0.0014 Å
• c: 14.157 ± 0.004 Å
• α: 90°
• β: 113.84 ± 0.03°
• γ: 90°
• Cell volume: 1507.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No