Information card for entry 1507958

Structure parameters

• Formula: C33 H47 Br O8 Si
• Calculated formula: C33 H47 Br O8 Si
• SMILES: Br[C@H]1[C@]2(O)C(=O)[C@H](C[C@H]2[C@]23O[C@]1(C[C@H]2[C@@H](OCc1ccccc1)[C@H]1OC(O[C@@H]1[C@H]3C=O)(C)C)CO[Si](C)(C)C(C)(C)C)C
• Title of publication: Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.
• Authors of publication: Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 615 - 619
• a: 10.5239 ± 0.0011 Å
• b: 14.5191 ± 0.0015 Å
• c: 22.649 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3460.7 ± 0.6 ų
• Cell temperature: 171 K
• Ambient diffraction temperature: 171 K
• Number of distinct elements: 5
• 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: 0.051
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No