Information card for entry 4029724

Structure parameters

• Formula: C25 H47 Li N4 O
• Calculated formula: C25 H47 Li N4 O
• SMILES: [O](=C(N(C(C)C)C(C)C)c1ccccc1CCC)[Li]12[N](CC[N]2(C)C)(C)CC[N]1(C)C
• 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: 9.6194 ± 0.0002 Å
• b: 29.1721 ± 0.0008 Å
• c: 10.0296 ± 0.0003 Å
• α: 90°
• β: 102.643 ± 0.002°
• γ: 90°
• Cell volume: 2746.24 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1008
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No