Information card for entry 7107408

Structure parameters

• Formula: C42 H56 Li2 N2 O2 Si2
• Calculated formula: C42 H56 Li2 N2 O2 Si2
• SMILES: [Li]123[N]4([C@@H](CCC4)C[O]1C)C[Si](c1ccccc1)(c1ccccc1)[CH]2(C)[Li]12[N]4([C@@H](CCC4)C[O]1C)C[Si](c1ccccc1)(c1ccccc1)[CH]23(C)
• Title of publication: A diastereomerically enriched, dimeric organolithium compound and the stereochemical course of its transformations
• Authors of publication: Christian Unkelbach; Bors C. Abele; Klaus Lehmen; Daniel Schildbach; Benedikt Waerder; Kerstin Wild; Carsten Strohmann
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2492 - 2494
• a: 20.016 ± 0.005 Å
• b: 11.19 ± 0.002 Å
• c: 9.266 ± 0.002 Å
• α: 90°
• β: 95.48 ± 0.03°
• γ: 90°
• Cell volume: 2065.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1293
• Weighted residual factors for significantly intense reflections: 0.1253
• Goodness-of-fit parameter for all reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No