Information card for entry 2216525

Structure parameters

• Chemical name: 4,4'-Bipiperidinium bis(hydrogen chloranilate)
• Formula: C22 H24 Cl4 N2 O8
• Calculated formula: C22 H24 Cl4 N2 O8
• SMILES: ClC1=C(O)C(=O)C(Cl)=C([O-])C1=O.ClC1=C(O)C(=O)C(Cl)=C([O-])C1=O.[NH2+]1CCC(CC1)C1CC[NH2+]CC1
• Title of publication: 4,4'-Bipiperidinediium bis(hydrogen chloranilate)
• Authors of publication: Gotoh, Kazuma; Ishikawa, Rie; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4518 - o4518
• a: 17.4716 ± 0.001 Å
• b: 7.7132 ± 0.0004 Å
• c: 19.1252 ± 0.0011 Å
• α: 90°
• β: 111.543 ± 0.0019°
• γ: 90°
• Cell volume: 2397.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes