Information card for entry 4515542

Structure parameters

• Formula: C14 H21 Ge N O3
• Calculated formula: C14 H21 Ge N O3
• SMILES: [GeH]123OC(C[N]3(c3ccccc3O2)CC(O1)(C)C)(C)C
• 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: 13.7717 ± 0.0002 Å
• b: 11.1518 ± 0.0001 Å
• c: 18.9206 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2905.81 ± 0.06 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0306
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No