Information card for entry 1508276

Structure parameters

• Formula: C27 H50 O7 Si2
• Calculated formula: C27 H47.552 O7 Si1.998
• SMILES: [Si](C(C)(C)C)(C)(C)OC[C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O[C@@H](OCc2ccc(OC)cc2)[C@@H](OC)OC1
• Title of publication: Total synthesis of 2‴,5‴-diepisilvestrol and its c1‴ epimer: key structure activity relationships at c1‴ and c2‴.
• Authors of publication: Chambers, Jennifer M.; Huang, David C. S.; Lindqvist, Lisa M.; Savage, G. Paul; White, Jonathan M.; Rizzacasa, Mark A.
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1500 - 1504
• a: 8.245 ± 0.0002 Å
• b: 10.6777 ± 0.0003 Å
• c: 36.1362 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181.35 ± 0.17 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No