Information card for entry 7220502

Structure parameters

• Chemical name: (S)-glycyfuranocoumarin A
• Formula: C21 H20 O6
• Calculated formula: C21 H20 O6
• SMILES: o1c2c(c(OC)cc3O[C@H](C(c23)(C)C)C)cc(c1=O)c1c(cc(O)cc1)O
• Title of publication: Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors
• Authors of publication: Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 56
• Pages of publication: 45258
• a: 9.3355 ± 0.0003 Å
• b: 9.6307 ± 0.0003 Å
• c: 19.5386 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.66 ± 0.08 ų
• Cell temperature: 100.8 K
• Ambient diffraction temperature: 100.8 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No