Information card for entry 7044586

Structure parameters

• Formula: C42 H50 O3 S Si2
• Calculated formula: C42 H50 O3 S Si2
• SMILES: [SiH]([Si](OS(=O)(=O)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Reactivity of sulfonyl-containing compounds with ditetrelenes
• Authors of publication: Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.176 ± 0.004 Å
• b: 10.516 ± 0.003 Å
• c: 24.432 ± 0.008 Å
• α: 90°
• β: 92.04 ± 0.013°
• γ: 90°
• Cell volume: 3639.9 ± 1.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No