Information card for entry 1504628

Structure parameters

• Formula: C28 H54 O5 Si2
• Calculated formula: C28 H54 O5 Si2
• SMILES: C=CC[C@@H]1CCC[C@H]([C@H]1O[Si](C)(C)C(C)(C)C)C(=O)C(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
• Title of publication: Design and synthesis of C6-C8 bridged epothilone A.
• Authors of publication: Zhan, Weiqiang; Jiang, Yi; Brodie, Peggy J.; Kingston, David G. I.; Liotta, Dennis C.; Snyder, James P.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1565 - 1568
• a: 36.7236 ± 0.0013 Å
• b: 7.3663 ± 0.0004 Å
• c: 25.1062 ± 0.0009 Å
• α: 90°
• β: 105.935 ± 0.002°
• γ: 90°
• Cell volume: 6530.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No