Information card for entry 1574307

Structure parameters

• Formula: C46 H72 N3 O2 P S Si
• Calculated formula: C46 H72 N3 O2 P S Si
• SMILES: S(=O)(=O)(C(P(C1CCCCC1)C1CCCCC1)=[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N(C=C1CCCCC1)C(C)(C)C)c1ccc(cc1)C
• Title of publication: Base-stabilized acyclic amino(ylidyl)silylenes: electron-rich donors for the stabilization of silicon-element multiple bonds
• Authors of publication: Krischer, Felix; Mayer, Stephan; Hensle, Lennart; Knyszek, Daniel; Darmandeh, Heidar; Gessner, Viktoria H.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 8346 - 8356
• a: 11.4285 ± 0.0001 Å
• b: 27.5512 ± 0.0001 Å
• c: 14.3976 ± 0.0001 Å
• α: 90°
• β: 100.775 ± 0.001°
• γ: 90°
• Cell volume: 4453.43 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0353
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No