Information card for entry 2236718

Structure parameters

• Chemical name: 2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3<i>H</i>-indol-1-ium-1-yl)butyl]- 3<i>H</i>-indol-1-ium diiodide
• Formula: C26 H34 I2 N2
• Calculated formula: C26 H34 I2 N2
• Title of publication: 2,3,3-Trimethyl-1-[4-(2,3,3-trimethyl-3<i>H</i>-indol-1-ium-1-yl)butyl]-3<i>H</i>-indol-1-ium diiodide
• Authors of publication: Wu, Di; Shen, Li-Xia; Niu, Yun-Yin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2714
• a: 13.9414 ± 0.0014 Å
• b: 7.6013 ± 0.0008 Å
• c: 13.8261 ± 0.0015 Å
• α: 90°
• β: 113.011 ± 0.002°
• γ: 90°
• Cell volume: 1348.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes