Information card for entry 2012299

Structure parameters

• Chemical name: (E)-4-(9-ethylcarbazol-3-ylvinyl)-N-methylpyridinium iodide
• Formula: C22 H21 I N2
• Calculated formula: C22 H21 I N2
• Title of publication: Indole- and carbazole-substituted pyridinium iodide salts: a rare case of conformational isomerism in crystals
• Authors of publication: Wang, Zheng; Nesterov, Vladimir N.; Borbulevych, Oleg Ya.; Clark, Ronald D.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1343 - 1348
• a: 7.554 ± 0.002 Å
• b: 16.046 ± 0.006 Å
• c: 16.295 ± 0.005 Å
• α: 82.27 ± 0.03°
• β: 87.36 ± 0.02°
• γ: 87.42 ± 0.03°
• Cell volume: 1953.6 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes