Information card for entry 1513415

Structure parameters

• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: O1[C@@]2(c3c(O[C@@H]2[C@H](C)c2c1cc(C)c(O)c2)cc(C)c(O)c3)CO.O1[C@]2(c3c(O[C@H]2[C@@H](C)c2c1cc(C)c(O)c2)cc(C)c(O)c3)CO
• Title of publication: (±)-Paeoveitol, a Pair of New Norditerpene Enantiomers from Paeonia veitchii.
• Authors of publication: Liang, Wen-Juan; Geng, Chang-An; Zhang, Xue-Mei; Chen, Hao; Yang, Cai-Yan; Rong, Guang-Qing; Zhao, Yong; Xu, Hong-Bo; Wang, Hao; Zhou, Ning-Jia; Ma, Yun-Bao; Huang, Xiao-Yan; Chen, Ji-Jun
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 424 - 427
• a: 19.219 ± 0.0018 Å
• b: 8.9835 ± 0.0008 Å
• c: 18.1799 ± 0.0016 Å
• α: 90°
• β: 95.093 ± 0.001°
• γ: 90°
• Cell volume: 3126.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No