Information card for entry 1570747

Structure parameters

• Formula: C66 H79 Ge N2 O2 P Si
• Calculated formula: C66 H79 Ge N2 O2 P Si
• Title of publication: Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides.
• Authors of publication: Sarkar, Debotra; Dutta, Sayan; Hanusch, Franziska; Koley, Debasis; Inoue, Shigeyoshi
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 2391 - 2397
• a: 10.922 ± 0.005 Å
• b: 20.846 ± 0.011 Å
• c: 26.946 ± 0.013 Å
• α: 90°
• β: 94.951 ± 0.019°
• γ: 90°
• Cell volume: 6112 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No