Information card for entry 4102465

Structure parameters

• Formula: C23 H43 B O4 Si
• Calculated formula: C23 H43 B O4 Si
• SMILES: [Si](O[C@@H]1C[C@]2(O[C@]2(C(C1)(C)C)C=CB1OC(C(O1)(C)C)(C)C)C)(C(C)(C)C)(C)C
• Title of publication: Stereoretentive Suzuki-Miyaura Coupling of Haloallenes Enables Fully Stereocontrolled Access to (-)-Peridinin
• Authors of publication: Eric M. Woerly; Alan H. Cherney; Erin K. Davis; Martin D. Burke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6941 - 6943
• a: 12.221 ± 0.0003 Å
• b: 7.726 ± 0.0002 Å
• c: 14.1518 ± 0.0003 Å
• α: 90°
• β: 90.599 ± 0.002°
• γ: 90°
• Cell volume: 1336.13 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.087
• 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