Information card for entry 4115319

Structure parameters

• Formula: C19 H30 O4
• Calculated formula: C19 H30 O4
• SMILES: O1CC[C@H](O[C@@]21C[C@@H](CC[C@H]2C(C)C)C)C[C@H]1OC=CC(=O)C1
• Title of publication: The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin
• Authors of publication: Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13648 - 13649
• a: 8.6258 ± 0.0009 Å
• b: 10.158 ± 0.001 Å
• c: 20.659 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1810.2 ± 0.3 ų
• Cell temperature: 273.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No