Information card for entry 4075001

Structure parameters

• Common name: Compound2a
• Chemical name: (2-trimethylsilylphenyl)diphenylmethylphosphonium iodide
• Formula: C22 H26 I P Si
• Calculated formula: C22 H26 I P Si
• SMILES: [P+](c1c([Si](C)(C)C)cccc1)(C)(c1ccccc1)c1ccccc1.[I-]
• 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: 14.718 ± 0.0004 Å
• b: 11.526 ± 0.0004 Å
• c: 13.066 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2216.51 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No