Information card for entry 1515607

Structure parameters

• Formula: C30 H38 O4 Si
• Calculated formula: C30 H38 O4 Si
• SMILES: [Si](O[C@H]1CCC(=O)C=CCCC[C@@H](OC(=O)C=C1)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
• Authors of publication: Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1568
• a: 9.7467 ± 0.0002 Å
• b: 14.1261 ± 0.0003 Å
• c: 20.0486 ± 0.0004 Å
• α: 90°
• β: 95.845 ± 0.001°
• γ: 90°
• Cell volume: 2746 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No