Information card for entry 3000173

Structure parameters

• Common name: MPBxHBA
• Chemical name: Complex of N-methyl piperidine betaine with p-hydroxybenzoic acid
• Formula: C15 H21 N O5
• Authors of publication: Owczarzak, A. Kubicki, M.
• Journal of publication: To be published
• a: 6.0511 ± 0.0001 Å
• b: 10.56 ± 0.0002 Å
• c: 11.9819 ± 0.0002 Å
• α: 109.277 ± 0.002°
• β: 95.58 ± 0.002°
• γ: 99.312 ± 0.002°
• Cell volume: 703.8 ± 0.02 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No