Information card for entry 4067171

Structure parameters

• Chemical name: Trimethyl(2,3,5-triphenylcyclopentadienyl)phosphonium perchlorate
• Formula: C26 H26 Cl O4 P
• Calculated formula: C26 H26 Cl O4 P
• SMILES: Cl(=O)(=O)(=O)[O-].[P+](C1C(=C(C=C1c1ccccc1)c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: Unprecedented Ring Transformation of an α,α′-Monosubstituted 2,4,5-Triphenylpyrylium Salt with η3-Phosphines: Efficient Synthesis of Aryl- and Alkylphosphonium Triphenylcyclopentadienylides
• Authors of publication: Xu, Tao; Gong, Wei-tao; Ye, Jun-wei; Lin, Yuan; Ning, Gui-ling
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6744
• a: 27.352 ± 0.004 Å
• b: 10.2322 ± 0.0017 Å
• c: 20.664 ± 0.006 Å
• α: 90°
• β: 125.869 ± 0.002°
• γ: 90°
• Cell volume: 4686.5 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No