Information card for entry 7241674

Structure parameters

• Common name: chrysosplentin
• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: O1C(c2cc(c(cc2)O)OC)=C(OC)C(=O)c2c(O)c(OC)c(OC)cc12
• Title of publication: Anti-inflammatory, antiallergic and COVID-19 protease inhibitory activities of phytochemicals from the Jordanian hawksbeard: identification, structure‒activity relationships, molecular modeling and impact on its folk medicinal uses
• Authors of publication: Ebada, Sherif S.; Al-Jawabri, Nariman A.; Youssef, Fadia S.; El-Kashef, Dina H.; Knedel, Tim-Oliver; Albohy, Amgad; Korinek, Michal; Hwang, Tsong-Long; Chen, Bing-Hung; Lin, Guan-Hua; Lin, Chia-Yi; Aldalaien, Sa'ed M.; Disi, Ahmad M.; Janiak, Christoph; Proksch, Peter
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 62
• Pages of publication: 38128 - 38141
• a: 7.2577 ± 0.0003 Å
• b: 17.3639 ± 0.0008 Å
• c: 13.362 ± 0.0006 Å
• α: 90°
• β: 95.789 ± 0.002°
• γ: 90°
• Cell volume: 1675.32 ± 0.13 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No