Information card for entry 1504124

Structure parameters

• Formula: C18 H20 O6
• Calculated formula: C18 H20 O6
• SMILES: O1[C@H](C)[C@H]2[C@H](O)[C@@]34[C@@H]1[C@@]1(C2=CCOC1=O)[C@H](CC3=CC(=O)OC4)C.O1[C@@H](C)[C@@H]2[C@@H](O)[C@]34[C@H]1[C@]1(C2=CCOC1=O)[C@@H](CC3=CC(=O)OC4)C
• Title of publication: Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.
• Authors of publication: Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 18
• Pages of publication: 4120 - 4123
• a: 9.117 ± 0.0018 Å
• b: 8.628 ± 0.0017 Å
• c: 19.717 ± 0.004 Å
• α: 90°
• β: 95.16 ± 0.03°
• γ: 90°
• Cell volume: 1544.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No