Information card for entry 4075002

Structure parameters

• Common name: Compound2b
• Chemical name: (2-trimethylsilylphenyl)trimethylphosphonium iodide
• Formula: C12 H22 I P Si
• Calculated formula: C12 H22 I P Si
• SMILES: [I-].[P+](c1c([Si](C)(C)C)cccc1)(C)(C)C
• Title of publication: Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides
• Authors of publication: Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2390
• a: 9.257 ± 0.0002 Å
• b: 12.642 ± 0.0003 Å
• c: 7.138 ± 0.0002 Å
• α: 90°
• β: 109.035 ± 0.001°
• γ: 90°
• Cell volume: 789.66 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No