Information card for entry 1560802

Structure parameters

• Formula: C30 H28 O10
• Calculated formula: C30 H28 O10
• SMILES: O([C@H]1[C@@]23c4c5C(=C(OC)C(=O)c6c5c(c5c4c(C1=O)c(O)cc5OC)c(OC)cc6O)[C@H]([C@@](O)(C3)C)[C@]2(O)C)C
• Title of publication: Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.
• Authors of publication: Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 436 - 443
• a: 8.381 ± 0.0002 Å
• b: 9.3907 ± 0.0002 Å
• c: 32.0572 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2523.01 ± 0.09 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: 0.0323
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No