Information card for entry 2016865

Structure parameters

• Chemical name: 2,6-Bis(<i>tert</i>-butyldimethylsilyloxy)-9-oxabicyclo[3.3.1]nonane-3,7-diol
• Formula: C20 H42 O5 Si2
• Calculated formula: C20 H42 O5 Si2
• SMILES: [Si](O[C@@H]1[C@H]2O[C@@H](C[C@H]1O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C2)(C)(C)C(C)(C)C.[Si](O[C@H]1[C@@H]2O[C@H](C[C@@H]1O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)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: 27.7623 ± 0.0006 Å
• b: 14.3663 ± 0.0003 Å
• c: 12.6076 ± 0.0002 Å
• α: 90°
• β: 93.491 ± 0.001°
• γ: 90°
• Cell volume: 5019.1 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes