Information card for entry 7116498

Structure parameters

• Formula: C74 H106 Li4 N6 O2
• Calculated formula: C74 H106 Li4 N6 O2
• SMILES: c1([Li])n(cc(n1=c1c(cccc1=C(C)C)C(C)C)N(C1CCCCC1)[Li][O]1CCCC1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Unprecedented directed lateral lithiations of tertiary carbons on NHC platforms
• Authors of publication: Andreas A. Danopoulos; Pierre Braunstein; Elixabete Rezabal; Gilles Frison
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3049
• a: 31.4483 ± 0.0016 Å
• b: 18.8909 ± 0.001 Å
• c: 26.5581 ± 0.0013 Å
• α: 90°
• β: 94.384 ± 0.001°
• γ: 90°
• Cell volume: 15731.7 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2398
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No