Information card for entry 7219081

Structure parameters

• Formula: C30 H48 O6
• Calculated formula: C30 H48 O6
• SMILES: O[C@]1(CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(O)C)C1(C)C)[C@H]1O[C@]2(CC[C@@H]3[C@@H]2[C@H]2[C@@H](CC[C@]3(O)C)C2(C)C)[C@@H](O1)O
• Title of publication: Valeriadimers A-C, three sesquiterpenoid dimers from Valeriana officinalis var. latifolia
• Authors of publication: Han, Zhu-zhen; Ye, Ji; Liu, Qing-Xin; Shen, Yunheng; yue, rongcai; Li, Hui-Liang; Zhang, Weidong
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.0356 ± 0.0002 Å
• b: 14.7212 ± 0.0004 Å
• c: 20.2608 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2694.99 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No