Information card for entry 1570745

Structure parameters

• Formula: C55 H63 Ge N2 P Si
• Calculated formula: C55 H63 Ge N2 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: 17.1513 ± 0.0008 Å
• b: 13.5641 ± 0.0007 Å
• c: 20.7152 ± 0.0009 Å
• α: 90°
• β: 98.907 ± 0.002°
• γ: 90°
• Cell volume: 4761.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0337
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No