Information card for entry 4103919

Structure parameters

• Formula: C15 H29 Li N2 O Zn
• Calculated formula: C15 H29 Li N2 O Zn
• SMILES: [Zn]1([CH3][Li]2([N](C)(C)CC[N]2(C)C)[O](c2c1cccc2)C)C
• Title of publication: Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates
• Authors of publication: William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2375 - 2384
• a: 8.3053 ± 0.0003 Å
• b: 13.0406 ± 0.0003 Å
• c: 16.4544 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.11 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No