Information card for entry 1548447

Structure parameters

• Formula: C35 H32 O8
• Calculated formula: C35 H32 O8
• SMILES: O1c2c(c3[C@@H]4C5C(=O)C=C(OC=5[C@@H](O)[C@H](Oc3cc2)[C@H]4O)CCc2ccccc2)C(=O)C=C1CCc1ccccc1.OC.O1c2c(c3[C@H]4C5C(=O)C=C(OC=5[C@H](O)[C@@H](Oc3cc2)[C@@H]4O)CCc2ccccc2)C(=O)C=C1CCc1ccccc1.OC
• Title of publication: Anti-inflammatory Dimeric 2-(2-Phenylethyl)chromones from the Resinous Wood of Aquilaria sinensis.
• Authors of publication: Huo, Hui-Xia; Zhu, Zhi-Xiang; Song, Yue-Lin; Shi, She-Po; Sun, Jing; Sun, Hui; Zhao, Yun-Fang; Zheng, Jiao; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun
• Journal of publication: Journal of natural products
• Year of publication: 2017
• a: 9.6731 ± 0.0004 Å
• b: 11.8776 ± 0.0006 Å
• c: 13.3871 ± 0.0006 Å
• α: 110.146 ± 0.004°
• β: 98.926 ± 0.004°
• γ: 99.616 ± 0.004°
• Cell volume: 1385.6 ± 0.12 ų
• Cell temperature: 107.2 K
• Ambient diffraction temperature: 107.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No