Information card for entry 2208946

Structure parameters

• Chemical name: Bis(piperidinium) chloranilate
• Formula: C16 H24 Cl2 N2 O4
• Calculated formula: C16 H24 Cl2 N2 O4
• SMILES: C1([O-])=C(C(=O)C([O-])=C(C1=O)Cl)Cl.[NH2+]1CCCCC1.C1CCCC[NH2+]1
• Title of publication: Bis(piperidinium) chloranilate
• Authors of publication: Refat, Moamen S.; Ahmed, Hamdy Al-Didamony; El-Zayat, Lamia A.; Fukunaga, Takeo; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1886 - o1887
• a: 5.1239 ± 0.0003 Å
• b: 8.7058 ± 0.0007 Å
• c: 10.4508 ± 0.0007 Å
• α: 114.412 ± 0.003°
• β: 95.561 ± 0.002°
• γ: 95.07 ± 0.003°
• Cell volume: 418.25 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes