Information card for entry 1504624

Structure parameters

• Formula: C26 H42 O5 Si2
• Calculated formula: C26 H42 O5 Si2
• SMILES: [Si](c1ccccc1)([C@H]1[C@H]2CC(=O)[C@H](O[C@H](C2)COCOC)C(=C1)O[Si](C)(C(C)(C)C)C)(C)C.[Si](c1ccccc1)([C@@H]1[C@@H]2CC(=O)[C@@H](O[C@@H](C2)COCOC)C(=C1)O[Si](C)(C(C)(C)C)C)(C)C
• Title of publication: Diastereoselective Brook rearrangement-mediated [3+4] annulation: application to a formal synthesis of (+)-laurallene.
• Authors of publication: Sasaki, Michiko; Hashimoto, Azusa; Tanaka, Koudai; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1803 - 1805
• a: 14.0993 ± 0.0017 Å
• b: 16.56 ± 0.002 Å
• c: 12.0918 ± 0.0015 Å
• α: 90°
• β: 104.882 ± 0.002°
• γ: 90°
• Cell volume: 2728.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0812
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No