Information card for entry 2212356

Structure parameters

• Chemical name: 4-methoxypiperidinium chloride
• Formula: C6 H14 Cl N O
• Calculated formula: C6 H14 Cl N O
• SMILES: [Cl-].[NH2+]1CCC(OC)CC1
• Title of publication: 4-Methoxypiperidinium chloride
• Authors of publication: Yao, Zheng; Gu, Xiao-Dan; Li, Zhi-Gang; Deng, Jian-Cheng; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o654 - o655
• a: 6.6778 ± 0.0013 Å
• b: 7.4041 ± 0.0014 Å
• c: 8.6654 ± 0.0016 Å
• α: 90°
• β: 101.666 ± 0.003°
• γ: 90°
• Cell volume: 419.59 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes