Information card for entry 7150566

Structure parameters

• Formula: C25 H29 O2 P S Si
• Calculated formula: C25 H29 O2 P S Si
• SMILES: [Si](O[C@@]1(OCC[C@@H]1P(=S)(c1ccccc1)c1ccccc1)c1ccccc1)(C)(C)C.[Si](O[C@]1(OCC[C@H]1P(=S)(c1ccccc1)c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: The lithiation and acyl transfer reactions of phosphine oxides, sulfides and boranes in the synthesis of cyclopropanes
• Authors of publication: Clarke, Celia; Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1329 - 1336
• a: 32.7713 ± 0.0006 Å
• b: 8.3741 ± 0.0002 Å
• c: 18.3244 ± 0.0003 Å
• α: 90°
• β: 104.915 ± 0.001°
• γ: 90°
• Cell volume: 4859.34 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No