Information card for entry 8103149

Structure parameters

• Chemical name: trimethylsulfoxonium phthalimide
• Formula: C11 H13 N O3 S
• Calculated formula: C11 H13 N O3 S
• Title of publication: Crystal structure of trimethylsulfoxonium phthalimide, [C3H9SO][C8H4NO2]
• Authors of publication: Eyad Mallah; Qutaiba Abu-Salem; Wael Abu Dayyih; Mohammed Hamad; Manfred Steimann; Caecilia Maichle-Mössmer
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 345
• a: 8.4446 ± 0.001 Å
• b: 10.9575 ± 0.0013 Å
• c: 12.084 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1118.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0663
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No