Information card for entry 4029723

Structure parameters

• Formula: C22 H38 Li N O4
• Calculated formula: C22 H38 Li N O4
• SMILES: [O]1=C(N(C(C)C)C(C)C)c2c(cccc2)C(CC)[Li]231[O](C)CC[O]3CC[O]2C
• Title of publication: On the control of secondary carbanion structure utilising ligand effects during directed metallation.
• Authors of publication: Wheatley, Andrew E. H.; Clayden, Jonathan; Hillier, Ian H.; Campbell Smith, Alison; Vincent, Mark A.; Taylor, Laurence J.; Haywood, Joanna
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2012
• Journal volume: 8
• Pages of publication: 50 - 60
• a: 7.8821 ± 0.0016 Å
• b: 18.975 ± 0.004 Å
• c: 15.737 ± 0.003 Å
• α: 90°
• β: 92.84 ± 0.03°
• γ: 90°
• Cell volume: 2350.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No