Information card for entry 1512196

Structure parameters

• Formula: C23 H30 N3 O9
• Calculated formula: C23 H30 N3 O9
• Title of publication: Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position
• Authors of publication: Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3718
• a: 15.3838 ± 0.0003 Å
• b: 14.0397 ± 0.0004 Å
• c: 10.9931 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2374.33 ± 0.1 ų
• Cell temperature: 263 K
• Ambient diffraction temperature: 263 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1559
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1331
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No