Information card for entry 4106157

Structure parameters

• Formula: C23 H29 N O7
• Calculated formula: C23 H29 N O7
• SMILES: O1CCOC21CC[C@H]1[C@@]2(C)CC(=O)C2=C1CC[C@@]13O[C@H]4O[C@@H]([C@@H]1C2)[C@@H](O)[C@H](N4C=O)C3
• 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: 33.877 ± 0.002 Å
• b: 7.2517 ± 0.0005 Å
• c: 9.6664 ± 0.0006 Å
• α: 90°
• β: 92.05 ± 0.001°
• γ: 90°
• Cell volume: 2373.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No