Information card for entry 7004357

Structure parameters

• Chemical name: 2,3-disila-2,2,3,3-tetramethyl-1,4-benzodioxane
• Formula: C10 H16 O2 Si2
• Calculated formula: C10 H16 O2 Si2
• SMILES: [Si]1([Si](Oc2c(O1)cccc2)(C)C)(C)C
• Title of publication: Toward selective functionalisation of oligosilanes: borane-catalysed dehydrogenative coupling of silanes with thiols
• Authors of publication: Harrison, Daniel J.; Edwards, David R.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3401 - 3411
• a: 7.1274 ± 0.0006 Å
• b: 12.8608 ± 0.001 Å
• c: 27.091 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2483.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No