Information card for entry 4101511

Structure parameters

• Formula: C27 H40 Li N O3 Zn
• Calculated formula: C27 H40 Li N O3 Zn
• SMILES: [Zn]1(c2c(cccc2)[O]([Li]([N]21C(CCCC2(C)C)(C)C)[O]1CCCC1)C)c1c(cccc1)OC
• Title of publication: Alkali-metal-mediated zincation of anisole: synthesis and structures of three instructive ortho-zincated complexes.
• Authors of publication: Clegg, William; Dale, Sophie H; Drummond, Allison M; Hevia, Eva; Honeyman, Gordon W; Mulvey, Robert E
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7434 - 7435
• a: 14.47 ± 0.004 Å
• b: 11.4161 ± 0.0014 Å
• c: 16.167 ± 0.004 Å
• α: 90°
• β: 93.35 ± 0.02°
• γ: 90°
• Cell volume: 2666.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No