Information card for entry 4128687

Structure parameters

• Formula: C23 H30 F Ge N
• Calculated formula: C23 H30 F Ge N
• SMILES: [Ge]12(CCCN(CCC1)CCC2)[C@@H](c1ccc(c(F)c1)c1ccccc1)C
• Title of publication: Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp²-sp³ Cross-Coupling.
• Authors of publication: Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 18
• Pages of publication: 7582 - 7588
• a: 7.3844 ± 0.0001 Å
• b: 11.767 ± 0.0003 Å
• c: 24.0742 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.86 ± 0.07 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No