Information card for entry 1570746

Structure parameters

• Formula: C63 H79 N2 O2 P Si Sn
• Calculated formula: C63 H79 N2 O2 P Si Sn
• 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: 12.462 ± 0.01 Å
• b: 15.316 ± 0.011 Å
• c: 14.954 ± 0.009 Å
• α: 90°
• β: 97.32 ± 0.03°
• γ: 90°
• Cell volume: 2831 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No