Information card for entry 1552708

Structure parameters

• Formula: C25 H24 O5
• Calculated formula: C25 H24 O5
• SMILES: C1(C=Cc2c(c3C(=O)C=C(c4ccc(cc4)O)Oc3c(c2O1)CC=C(C)C)O)(C)C
• 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: 26.0009 ± 0.0006 Å
• b: 9.6431 ± 0.0003 Å
• c: 16.4553 ± 0.0004 Å
• α: 90°
• β: 94.559 ± 0.002°
• γ: 90°
• Cell volume: 4112.77 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0868
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No