Information card for entry 1557878

Structure parameters

• Common name: 1-methy1-4-(4-chloropheny1)-2,6-diphenylpyridinium perchlorate
• Formula: C24 H19 Cl2 N O4
• Calculated formula: C24 Cl2 N O4
• SMILES: Clc1ccc(c2cc([n+](C)c(c2)c2ccccc2)c2ccccc2)cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates
• Authors of publication: Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1995
• Journal volume: 49
• Pages of publication: 515 - 523
• a: 13.12 ± 0.004 Å
• b: 11.853 ± 0.002 Å
• c: 14.182 ± 0.005 Å
• α: 90°
• β: 103.35 ± 0.03°
• γ: 90°
• Cell volume: 2145.9 ± 1.1 ų
• Ambient diffraction temperature: 293 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: 0.0938
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2576
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No