Information card for entry 1505260

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: O[C@]12[C@]3(CC[C@H]4C(CCC=C4[C@H]3OC2=O)(C)C)C=C(C1=O)C(C)C
• Title of publication: Przewalskin B, a novel diterpenoid with an unprecedented skeleton from Salvia przewalskii maxim.
• Authors of publication: Xu, Gang; Hou, Ai-Jun; Zheng, Yong-Tang; Zhao, Yu; Li, Xiao-Li; Peng, Li-Yan; Zhao, Qin-Shi
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 291 - 293
• a: 6.751 Å
• b: 11.662 Å
• c: 23.577 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1856.22 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1436
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No