Information card for entry 4106156

Structure parameters

• Common name: Ryan
• Formula: C26 H39 N O7
• Calculated formula: C26 H39 N O7
• SMILES: O1[C@@H]2[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@]1(O)CC[C@H]3[C@H]([C@]21C)C(=O)C[C@@]1([C@@H]3CCC21OCCO2)C
• Title of publication: Scalable Synthesis of Cortistatin A and Related Structures
• Authors of publication: Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8014 - 8027
• a: 12.015 ± 0.002 Å
• b: 12.534 ± 0.002 Å
• c: 16.724 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2518.6 ± 0.7 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No