Information card for entry 1503498

Structure parameters

• Formula: C15 H24 O3 Si
• Calculated formula: C15 H24 O3 Si
• SMILES: [C@@]12([C@H](CCC[C@@H]1O)[C@H]2C(=O)OCC)C#C[Si](C)(C)C.[C@]12([C@@H](CCC[C@H]1O)[C@@H]2C(=O)OCC)C#C[Si](C)(C)C
• Title of publication: Collective domino approach toward the core of molecules isolated from the genus Schisandra.
• Authors of publication: Bartoli, Alexandra; Chouraqui, Gaëlle; Parrain, Jean-Luc
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 122 - 125
• a: 30.0284 ± 0.0004 Å
• b: 30.0284 ± 0.0004 Å
• c: 9.5833 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7483.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No