Information card for entry 7219582

Structure parameters

• Chemical name: (E)-3-(2-(4-Nitrophenyl)-2-oxoethylidene)-1-(2,3,4-tri-<i>O</i>-acetyl-β-L-rhamno-pyranosyl)indolin-2-one
• Formula: C28 H26 N2 O11
• Calculated formula: C28 H26 N2 O11
• SMILES: O=N(=O)c1ccc(C(=O)/C=C\2C(=O)N([C@H]3O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3OC(=O)C)C)c3ccccc23)cc1
• Title of publication: Synthesis and Bioactivity of N-glycosylated 3-(2-Oxo-2- arylethylidene)-indolin-2-ones
• Authors of publication: Kleeblatt, Dennis; Becker, Martin; Ploetz, Michael; Schönherr, Madeleine; Villinger, Alexander; Hein, Martin; Eberle, Jürgen; Kunz, Manfred; Rahman, Qamar; Langer, Peter
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6844 ± 0.0003 Å
• b: 16.3169 ± 0.0006 Å
• c: 22.267 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2791.96 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No