Information card for entry 7107319

Structure parameters

• Common name: MRC I 018B1
• Formula: C31 H53 I N2 P Si4 Y
• Calculated formula: C31 H53 I N2 P Si4 Y
• SMILES: C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[Y](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)I
• Title of publication: Wittig-Olefination via an Yttrium-Coordinated Betaine
• Authors of publication: Mark R. Crimmin; Andrew J. P. White
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1745
• a: 8.8866 ± 0.0018 Å
• b: 12.252 ± 0.003 Å
• c: 36.576 ± 0.007 Å
• α: 90°
• β: 92.16 ± 0.004°
• γ: 90°
• Cell volume: 3979.5 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No