Information card for entry 2238063

Structure parameters

• Chemical name: Methyl (3<i>R</i>,4<i>S</i>,5<i>R</i>)-3,5-bis[(<i>tert</i>-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate
• Formula: C21 H42 O5 Si2
• Calculated formula: C21 H42 O5 Si2
• SMILES: [Si](O[C@@H]1CC(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC)C(=O)OC)(C)(C)C(C)(C)C
• Title of publication: (3<i>R</i>,4<i>S</i>,5<i>R</i>)-Methyl 3,5-bis[(<i>tert</i>-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate
• Authors of publication: Liu, Ri; Shi, Yu; Xu, Chun-Xiu; Li, Yi-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o632
• a: 10.76 ± 0.005 Å
• b: 8.321 ± 0.004 Å
• c: 14.601 ± 0.007 Å
• α: 90°
• β: 98.997 ± 0.009°
• γ: 90°
• Cell volume: 1291.2 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes