Information card for entry 2219467

Structure parameters

• Chemical name: Piperidinium 3-hydroxy-2-naphthoate
• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• SMILES: [NH2+]1CCCCC1.Oc1cc2c(cc1C(=O)[O-])cccc2
• Title of publication: Piperidinium 3-hydroxy-2-naphthoate
• Authors of publication: Wang, Yong-Tao; Tang, Gui-Mei; Zhang, Yong-Chun; Wan, Wen-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1753
• a: 8.6683 ± 0.0003 Å
• b: 19.4537 ± 0.0005 Å
• c: 9.5932 ± 0.0003 Å
• α: 90°
• β: 111.959 ± 0.002°
• γ: 90°
• Cell volume: 1500.34 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.126
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes