Information card for entry 1566594

Structure parameters

• Common name: 1-(Methyl-α-<i>D</i>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate
• Chemical name: 3-Ethenyl-1-(methyl-α-<i>D</i>-glucopyranosid-6-yl)imidazolium iodide dimethylformamide monosolvate
• Formula: C15 H26 I N3 O6
• Calculated formula: C15 H26 I N3 O6
• SMILES: n1(C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)c[n+](cc1)C=C.[I-].N(C)(C)C=O
• Title of publication: 1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate
• Authors of publication: Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 3
• Pages of publication: x220265
• a: 10.816 ± 0.002 Å
• b: 7.0106 ± 0.0015 Å
• c: 13.169 ± 0.003 Å
• α: 90°
• β: 106.833 ± 0.004°
• γ: 90°
• Cell volume: 955.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes