Information card for entry 2008412

Structure parameters

• Common name: Iodoproxyfan
• Chemical name: 3-(1H-imidazol-4-yl)propyl (4-iodophenyl)methyl ether hydrogen maleate
• Formula: C17 H19 I N2 O5
• Calculated formula: C17 H19 I N2 O5
• Title of publication: 4-[3-(4-Iodophenylmethoxy)propyl]-1<i>H</i>-imidazolium hydrogen maleate (iodoproxyfan hydrogen maleate)
• Authors of publication: Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: IUC9900035
• a: 5.493 ± 0.002 Å
• b: 10.104 ± 0.002 Å
• c: 16.288 ± 0.004 Å
• α: 97.26 ± 0.02°
• β: 93.4 ± 0.02°
• γ: 92.6 ± 0.03°
• Cell volume: 893.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No