Information card for entry 7151968

Structure parameters

• Formula: C32 H42 N O2 P Si
• Calculated formula: C32 H42 N O2 P Si
• SMILES: [Si](C#CC(=Pc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C#Cc1ccc(N(=O)=O)cc1)(C)(C)C
• Title of publication: C,C-Diacetylenic phosphaalkenes in palladium-catalyzed cross-coupling reactions.
• Authors of publication: Oberg, Elisabet; Geng, Xue-Li; Santoni, Marie-Pierre; Ott, Sascha
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 6246 - 6255
• a: 46.284 ± 0.003 Å
• b: 12.2793 ± 0.0007 Å
• c: 11.1201 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6319.9 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No