Information card for entry 1545938

Structure parameters

• Formula: C26 H48 O2 Si
• Calculated formula: C26 H48 O2 Si
• SMILES: [Si](O[C@@H]1C([C@H]2[C@@](C(=O)C[C@@](CCCC=C)(CC2)C)(CC1)C)(C)C)(C(C)(C)C)(C)C.[Si](O[C@H]1C([C@@H]2[C@](C(=O)C[C@](CCCC=C)(CC2)C)(CC1)C)(C)C)(C(C)(C)C)(C)C
• Title of publication: Pinacol Coupling Strategy for the Construction of the Bicyclo[6.4.1]tridecane Framework of Schiglautone A.
• Authors of publication: Werner, Bettina; Kalesse, Markus
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1524 - 1526
• a: 27.621 ± 0.006 Å
• b: 7.7207 ± 0.0016 Å
• c: 12.441 ± 0.002 Å
• α: 90°
• β: 91.434 ± 0.007°
• γ: 90°
• Cell volume: 2652.3 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No