Information card for entry 4101510

Structure parameters

• Formula: C24 H42 Li N O2 Zn
• Calculated formula: C24 H42 Li N O2 Zn
• SMILES: [Zn]1(c2c(cccc2)[O]([Li]([N]21C(CCCC2(C)C)(C)C)[O]1CCCC1)C)C(C)(C)C
• 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: 12.1007 ± 0.0018 Å
• b: 11.1744 ± 0.0007 Å
• c: 19.3198 ± 0.0018 Å
• α: 90°
• β: 106.728 ± 0.01°
• γ: 90°
• Cell volume: 2501.8 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No