Information card for entry 2204524

Structure parameters

• Formula: C22 H24 Cl2 N2 O4
• Calculated formula: C22 H24 Cl2 N2 O4
• SMILES: [nH+]1c(cc(cc1C)C)C.C1([O-])=C(Cl)C(=O)C([O-])=C(C1=O)Cl.[nH+]1c(cc(cc1C)C)C
• Title of publication: Bis(2,4,6-trimethylpyridinium) chloranilate
• Authors of publication: Hiroyuki Ishida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2005 - o2006
• a: 8.4902 ± 0.0009 Å
• b: 9.0205 ± 0.0016 Å
• c: 9.3236 ± 0.0014 Å
• α: 115.456 ± 0.012°
• β: 112.034 ± 0.01°
• γ: 94.799 ± 0.013°
• Cell volume: 571.48 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.087
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes