Information card for entry 4110367

Structure parameters

• Formula: C28 H34 N P
• Calculated formula: C28 H34 N P
• SMILES: P1(=C(N(C(C)C)C(C)C)C(c2ccccc12)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Transient and Stable C-Amino Phosphorus Ylides and Their Fragmentation into Transient and Stable Carbenes
• Authors of publication: Yves Canac; Salvador Conejero; Michèle Soleilhavoup; Bruno Donnadieu; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 459 - 464
• a: 10.189 ± 0.002 Å
• b: 10.608 ± 0.002 Å
• c: 12.5 ± 0.004 Å
• α: 98.449 ± 0.003°
• β: 95.173 ± 0.003°
• γ: 116.258 ± 0.002°
• Cell volume: 1180 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No