Information card for entry 4515543

Structure parameters

• Formula: C14 H20 Cl Ge N O3
• Calculated formula: C14 H20 Cl Ge N O3
• SMILES: [Ge]123(Cl)Oc4c([N]3(CC(O1)(C)C)CC(O2)(C)C)cccc4
• Title of publication: Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis
• Authors of publication: Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9287
• a: 14.8342 ± 0.0003 Å
• b: 13.3798 ± 0.0003 Å
• c: 16.4653 ± 0.0004 Å
• α: 90°
• β: 96.777 ± 0.002°
• γ: 90°
• Cell volume: 3245.18 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.05
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No