Information card for entry 2211248

Structure parameters

• Chemical name: 1-Butyl-quinolinium Iodide
• Formula: C13 H16 I N
• Calculated formula: C13 H16 I N
• SMILES: [I-].[n+]1(cccc2ccccc12)CCCC
• Title of publication: 1-Butylquinolinium iodide
• Authors of publication: Zhong, Chong-Min; Zuo, Ya-Jie; Jin, Hua-Shu; Liu, Shuang-Quan; Wang, Tian-Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5050 - o5051
• a: 11.2807 ± 0.0004 Å
• b: 13.9968 ± 0.0005 Å
• c: 16.7612 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2646.49 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes