Information card for entry 7152742

Structure parameters

• Formula: C15 H26 O4 Si
• Calculated formula: C15 H26 O4 Si
• SMILES: [Si](C)(C)(C(C)(C)C)O[C@@H]1[C@H]2CC(=O)[C@]([C@H]1O)(CC=C)O2.[Si](C)(C)(C(C)(C)C)O[C@H]1[C@@H]2CC(=O)[C@@]([C@@H]1O)(CC=C)O2
• Title of publication: A furan Diels-Alder cycloaddition approach to scyphostatin analogues.
• Authors of publication: Fraser, Calum J.; Howell, Gareth P.; Harrity, Joseph P. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 45
• Pages of publication: 9058 - 9066
• a: 7.3493 ± 0.0012 Å
• b: 9.3408 ± 0.0015 Å
• c: 25.042 ± 0.004 Å
• α: 73.729 ± 0.006°
• β: 88.572 ± 0.006°
• γ: 86.474 ± 0.006°
• Cell volume: 1647.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No