Information card for entry 4022331

Structure parameters

• Chemical name: (3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)-3a,5,6,6a-tetrahydrospiro [cyclopenta[b]furo-4(5H),2'(5'H)-furan]-2(3H),5'-dione
• Formula: C16 H26 O6 Si2
• Calculated formula: C16 H26 O6 Si2
• SMILES: [C@@H]12CC(=O)O[C@@H]1[C@H]([C@@H]([C@@]12OC(=O)C=C1)O[Si](C)(C)C)O[Si](C)(C)C
• Title of publication: C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol
• Authors of publication: Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 2437 - 2447
• a: 7.483 ± 0.002 Å
• b: 11.221 ± 0.003 Å
• c: 25.339 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2127.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2433
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Method of determination: single crystal
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No