Information card for entry 2226636

Structure parameters

• Chemical name: 2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>- insitol 1,3,5-orthoformate
• Formula: C15 H26 O6 Si
• Calculated formula: C15 H26 O6 Si
• SMILES: CC1O[C@@H]2C3[C@@H]([C@@H]4C([C@H]2OC(O3)O4)O[Si](C)(C)C(C)(C)C)O1
• Title of publication: 2-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-4,6-<i>O</i>-ethylidene-<i>myo</i>-insitol 1,3,5-orthoformate
• Authors of publication: Xu, Zhouqin; Wang, Qiang; Sun, Yanchun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1741
• a: 12.017 ± 0.0004 Å
• b: 11.2808 ± 0.0003 Å
• c: 25.6942 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3483.14 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1234
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes