Information card for entry 1564805

Structure parameters

• Formula: C30 H44 O6
• Calculated formula: C30 H44 O6
• SMILES: O1[C@@H]2CC[C@]3(Oc4cc([C@@H]([C@H](OC(=O)C)[C@@H](CC)C)C)cc(O)c4C=C3[C@]2(CC[C@@H]1C(O)(C)C)C)C
• Title of publication: Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived <i>Bipolaris zeicola</i>.
• Authors of publication: Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 2427 - 2436
• a: 11.2607 ± 0.0001 Å
• b: 10.247 ± 0.0001 Å
• c: 13.0776 ± 0.0002 Å
• α: 90°
• β: 111.947 ± 0.001°
• γ: 90°
• Cell volume: 1399.65 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No