Information card for entry 1560803

Structure parameters

• Formula: C30 H32 O12
• Calculated formula: C30 H30 O12
• SMILES: O(c1c2c3c4C(=C(OC)C(=O)c3c(O)c1)[C@H]1[C@](O)([C@@]3(c4c4c(c(O)cc(OC)c24)C(=O)[C@H]3OC)C[C@@]1(O)C)C)C.O.O
• 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: 13.1752 ± 0.00013 Å
• b: 17.53391 ± 0.00017 Å
• c: 23.9821 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5540.17 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0581
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No