Information card for entry 4110120

Structure parameters

• Formula: C28 H46 O3 Si
• Calculated formula: C28 H46 O3 Si
• SMILES: [Si](O[C@H]1C=C(C)CCC=C(C)CC[C@@]2(C)C(=O)C1=CC(=C2)OC)(C(C)C)(C(C)C)C(C)C.[Si](O[C@@H]1C=C(C)CCC=C(C)CC[C@]2(C)C(=O)C1=CC(=C2)OC)(C(C)C)(C(C)C)C(C)C
• Title of publication: Total Synthesis of (\±)-Phomactin B2 via an Intramolecular Cyclohexadienone Annulation of a Chromium Carbene Complex
• Authors of publication: Jie Huang; Chunrui Wu; William D. Wulff
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13366 - 13367
• a: 12.384 ± 0.003 Å
• b: 12.584 ± 0.003 Å
• c: 18.686 ± 0.004 Å
• α: 90°
• β: 107.07 ± 0.03°
• γ: 90°
• Cell volume: 2783.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No