Information card for entry 7116497

Structure parameters

• Formula: C61 H95 Li2 N3 O6
• Calculated formula: C61 H95 Li2 N3 O6
• 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: 10.8651 ± 0.0006 Å
• b: 14.5756 ± 0.0009 Å
• c: 20.5112 ± 0.0013 Å
• α: 102.51 ± 0.002°
• β: 100.746 ± 0.001°
• γ: 106.653 ± 0.001°
• Cell volume: 2928.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1664
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1796
• Weighted residual factors for all reflections included in the refinement: 0.2164
• 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: Yes
• Has Fobs: No