Information card for entry 2016866

Structure parameters

• Chemical name: 4,8-Bis(<i>tert</i>-butyldimethylsilyloxy)-2,6-dioxatricyclo[3.3.1^3,7^]decane- 1,3-diol
• Formula: C20 H40 O6 Si2
• Calculated formula: C20 H40 O6 Si2
• SMILES: [Si](O[C@@H]1[C@H]2O[C@H]3C[C@]1(O)O[C@](O)([C@@H]3O[Si](C)(C)C(C)(C)C)C2)(C)(C)C(C)(C)C.[Si](O[C@H]1[C@@H]2O[C@@H]3C[C@@]1(O)O[C@@](O)([C@H]3O[Si](C)(C)C(C)(C)C)C2)(C)(C)C(C)(C)C
• Title of publication: Hydrogen-bonded layered structures in two bis(<i>tert</i>-butyldimethylsilyloxy)-substituted cyclic diol derivatives
• Authors of publication: Foces-Foces, C.; López-Rodríguez, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o657 - o660
• a: 15.0964 ± 0.0017 Å
• b: 13.6368 ± 0.0015 Å
• c: 24.291 ± 0.002 Å
• α: 90°
• β: 106.676 ± 0.009°
• γ: 90°
• Cell volume: 4790.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes