Information card for entry 1512194

Structure parameters

• Formula: C23 H30 O6
• Calculated formula: C23 H30 O6
• SMILES: O1[C@H]2[C@]34[C@]5(OC1(C)C)OC[C@]1([C@@H]3CC[C@H]2C(=C)C4=O)[C@H]([C@@H]5O)C([C@@H](O)C=C1)(C)C
• 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: 11.627 ± 0.002 Å
• b: 12.127 ± 0.002 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.3 ± 0.7 ų
• Cell temperature: 263 K
• Ambient diffraction temperature: 263 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 all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9072
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No