Information card for entry 4104749

Structure parameters

• Formula: C28 H29 Cl N2 O8
• Calculated formula: C27.265 H29 Cl0.95 N2.02 O8.07
• Title of publication: Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof
• Authors of publication: K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10587 - 10597
• a: 28.0108 ± 0.001 Å
• b: 12.6124 ± 0.0002 Å
• c: 18.5089 ± 0.0006 Å
• α: 90°
• β: 125.62 ± 0.0011°
• γ: 90°
• Cell volume: 5315.5 ± 0.3 ų
• Cell temperature: 80.1 K
• Ambient diffraction temperature: 80 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 3.837
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No