Information card for entry 2202721

Structure parameters

• Formula: C11 H13 Cl2 N O4
• Calculated formula: C11 H13 Cl2 N O4
• SMILES: ClC1=C(O)C(=O)C(Cl)=C([O-])C1=O.[NH2+]1CCCCC1
• Title of publication: Piperidinium hydrogen chloranilate
• Authors of publication: Takeo Fukunaga; Hiroyuki Ishida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1793 - o1795
• a: 17.263 ± 0.005 Å
• b: 6.8 ± 0.004 Å
• c: 22.832 ± 0.008 Å
• α: 90°
• β: 110.8 ± 0.02°
• γ: 90°
• Cell volume: 2505.5 ± 1.9 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes