Information card for entry 2005405

Structure parameters

• Chemical name: Methacryloylcholine iodide
• Formula: C9 H18 I N O2
• Calculated formula: C9 H18 I N O2
• Title of publication: Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)
• Authors of publication: Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2216 - 2218
• a: 14.467 ± 0.002 Å
• b: 7.391 ± 0.004 Å
• c: 11.868 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1269 ± 0.8 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 1.378
• Goodness-of-fit parameter for significantly intense reflections: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No