Information card for entry 1518631

Structure parameters

• Formula: C26 H36 O7
• Calculated formula: C26 H36 O7
• SMILES: O[C@@]1([C@](C)(/C=C/C2=CC(=O)OC2)[C@@H]2[C@@](C(=CCC2)C)(C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C(C)C)C
• 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: 9.60332 ± 0.00009 Å
• b: 9.87431 ± 0.0001 Å
• c: 26.75 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2536.6 ± 0.04 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: 0.0326
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No