Information card for entry 1552709

Structure parameters

• Formula: C27 H26 O6
• Calculated formula: C27 H26 O6
• SMILES: O1C(C)(C)C=Cc2c(O)c3C(=O)C=C(Oc3c(CC=C(C)C)c12)c1ccc(OC(=O)C)cc1
• Title of publication: Cytotoxicity and Anti-inflammatory Properties of Apigenin-Derived Isolaxifolin.
• Authors of publication: Chen, Yongsheng; Chen, Wan-Na; Hu, Nan; Banwell, Martin G.; Ma, Chenxi; Gardiner, Michael G.; Lan, Ping
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 2451 - 2459
• a: 18.695 ± 0.002 Å
• b: 6.122 ± 0.003 Å
• c: 20.101 ± 0.004 Å
• α: 90°
• β: 98.333 ± 0.018°
• γ: 90°
• Cell volume: 2276.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No