Information card for entry 2219802

Structure parameters

• Common name: Iodoquinolinium_Triiodide_THF
• Chemical name: 8-Iodoquinolinium triiodide tetrahydrofuran solvate
• Formula: C13 H15 I4 N O
• Calculated formula: C13 H15 I4 N O
• SMILES: c1ccc2cccc(c2[nH+]1)I.C1CCCO1.I[I-]I
• Title of publication: 8-Iodoquinolinium triiodide tetrahydrofuran solvate
• Authors of publication: Son, Jung-Ho; Hoefelmeyer, James D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2077
• a: 7.8674 ± 0.0004 Å
• b: 17.651 ± 0.0009 Å
• c: 13.1465 ± 0.0007 Å
• α: 90°
• β: 90.343 ± 0.001°
• γ: 90°
• Cell volume: 1825.59 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0272
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes