Information card for entry 4120340

Structure parameters

• Formula: C20 H31 Cl2 Ge N
• Calculated formula: C20 H31 Cl2 Ge N
• SMILES: [Ge](Cl)(Cl)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom
• Authors of publication: Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12422 - 12428
• a: 14.934 ± 0.002 Å
• b: 14.779 ± 0.002 Å
• c: 19.118 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4219.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes