Information card for entry 1552625

Structure parameters

• Formula: C22 H18 O4
• Calculated formula: C22 H18 O4
• SMILES: O(C1=C(C(O)=C(C(=O)C(c2ccccc2)=C1)C(=O)C)c1ccccc1)C
• Title of publication: Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.
• Authors of publication: Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 1114 - 1119
• a: 28.975 ± 0.004 Å
• b: 7.1541 ± 0.0008 Å
• c: 21.497 ± 0.003 Å
• α: 90°
• β: 129.162 ± 0.007°
• γ: 90°
• Cell volume: 3455.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1425
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No