Information card for entry 7000504

Structure parameters

• Formula: C30 H47 Cu Li N O3
• Calculated formula: C30 H47 Cu Li N O3
• SMILES: [Cu]([N]([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cc1ccccc1)CC)c1c(cc(cc1C)C)C
• Title of publication: The influence of tetrahydrofuran on the structures and reactivities of lithium organo-amidocuprates
• Authors of publication: Bomparola, Roberta; Davies, Robert P.; Hornauer, Stefan; White, Andrew J. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1104 - 1106
• a: 8.63755 ± 0.00017 Å
• b: 18.1879 ± 0.0003 Å
• c: 19.0128 ± 0.0003 Å
• α: 90°
• β: 92.4171 ± 0.0017°
• γ: 90°
• Cell volume: 2984.23 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No