Information card for entry 4025694

Structure parameters

• Formula: C28 H28 N O P Sn
• Calculated formula: C28 H28 N O P Sn
• SMILES: [Sn](c1c(C(=O)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1)(C)(C)C
• Title of publication: Synthesis, Structure, and Reactivity of N-Benzoyl Iminophosphoranes Ortho Lithiated at the Benzoyl Group
• Authors of publication: David Aguilar; Ignacio Fernández; Luciano Cuesta; Víctor Yañez-Rodríguez; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia; Fernando López Ortiz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6452 - 6462
• a: 12.7495 ± 0.0011 Å
• b: 24.5625 ± 0.0018 Å
• c: 8.8304 ± 0.0006 Å
• α: 90°
• β: 105.175 ± 0.009°
• γ: 90°
• Cell volume: 2668.9 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.2341
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No