Information card for entry 1514415

Structure parameters

• Formula: C31 H52 N2 P Si4 Y
• Calculated formula: C31 H52 N2 P Si4 Y
• SMILES: [Y]1(C[P+](c2c1cccc2)(c1ccccc1)c1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide
• Authors of publication: Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 691
• a: 11.1459 ± 0.0003 Å
• b: 20.7732 ± 0.0004 Å
• c: 16.6276 ± 0.0003 Å
• α: 90°
• β: 100.782 ± 0.0019°
• γ: 90°
• Cell volume: 3781.92 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No