Information card for entry 1506168

Structure parameters

• Formula: C23 H26 O6
• Calculated formula: C23 H26 O6
• SMILES: O=C1[C@H]2C(CCC[C@@]32c2c([C@H]1OC3=O)cc(c(O)c(c2=O)C(=O)C)C(C)C)(C)C
• Title of publication: Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.
• Authors of publication: Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 20
• Pages of publication: 4453 - 4456
• a: 6.072 ± 0.004 Å
• b: 15.035 ± 0.004 Å
• c: 22.423 ± 0.006 Å
• α: 90 ± 0.02°
• β: 90 ± 0.04°
• γ: 90 ± 0.04°
• Cell volume: 2047.1 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1322
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No