Information card for entry 1513139

Structure parameters

• Formula: C24 H34 I N O3 Si
• Calculated formula: C24 H34 I N O3 Si
• SMILES: Ic1c([C@H](O[Si](CC)(CC)CC)[C@@]23C(=C)CCC(=C)[C@@H]2[C@@H](O)N(C3=O)C)cccc1.Ic1c([C@@H](O[Si](CC)(CC)CC)[C@]23C(=C)CCC(=C)[C@H]2[C@H](O)N(C3=O)C)cccc1
• Title of publication: Synthesis of the Tetracyclic Core of Exiguaquinol
• Authors of publication: Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 6014
• a: 12.4043 ± 0.0004 Å
• b: 11.4302 ± 0.0004 Å
• c: 17.7674 ± 0.0006 Å
• α: 90°
• β: 92.4761 ± 0.0004°
• γ: 90°
• Cell volume: 2516.77 ± 0.15 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No