Information card for entry 1517898

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: C1[C@@H](C=C2[C@]3(CC[C@@H]4[C@@]([C@@H]13)(CC[C@@](C4)(C=C)C)C)COC2=O)O
• Title of publication: Notolutesins A-J, Dolabrane-Type Diterpenoids from the Chinese Liverwort Notoscyphus lutescens.
• Authors of publication: Wang, Song; Li, Rui-Juan; Zhu, Rong-Xiu; Hu, Xiao-Yan; Guo, Yan-Xia; Zhou, Jin-Chuan; Lin, Zhao-Min; Zhang, Jiao-Zhen; Wu, Jing-Yi; Kang, Ya-Qi; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Yuan, Hui-Qing; Lou, Hong-Xiang
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 9
• Pages of publication: 2081 - 2087
• a: 6.2545 ± 0.0004 Å
• b: 8.1557 ± 0.0006 Å
• c: 34.847 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.5 ± 0.2 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: 0.0553
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No