Information card for entry 1518630

Structure parameters

• Formula: C34 H38 O8
• Calculated formula: C34 H38 O8
• SMILES: O(C(=O)c1ccccc1)[C@H]1C[C@]2(O[C@]3([C@@H](O)[C@H](OC(=O)c4ccccc4)[C@]4(C(=CCC[C@@H]4[C@@]13C)C)C)C)COC(=O)C2
• Title of publication: neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication.
• Authors of publication: Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 3
• Pages of publication: 500 - 509
• a: 9.67492 ± 0.00011 Å
• b: 14.41358 ± 0.00014 Å
• c: 20.6293 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.76 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No