Information card for entry 8106559

Structure parameters

• Formula: C19 H16 F I N2
• Calculated formula: C19 H16 F I N2
• Title of publication: Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16FIN2
• Authors of publication: Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You; Yuan, Lin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 429 - 430
• a: 15.1714 ± 0.0003 Å
• b: 14.061 ± 0.0003 Å
• c: 15.9365 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399.65 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No