Information card for entry 1514366

Structure parameters

• Formula: C21 H34 O4 Si
• Calculated formula: C21 H34 O4 Si
• SMILES: [Si](O[C@H]1[C@@]2(Oc3c1cccc3)OCCC[C@H]2O)(C(C)C)(C(C)C)C(C)C.[Si](O[C@@H]1[C@]2(Oc3c1cccc3)OCCC[C@@H]2O)(C(C)C)(C(C)C)C(C)C
• Title of publication: Solvent-Dependent Divergent Functions of Sc(OTf)3 in Stereoselective Epoxide-Opening Spiroketalizations.
• Authors of publication: Sharma, Indrajeet; Wurst, Jacqueline M.; Tan, Derek S.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 2474 - 2477
• a: 9.076 ± 0.0007 Å
• b: 10.7759 ± 0.0008 Å
• c: 11.1491 ± 0.0008 Å
• α: 80.423 ± 0.004°
• β: 84.426 ± 0.004°
• γ: 74.609 ± 0.004°
• Cell volume: 1035.04 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No