Information card for entry 7151024

Structure parameters

• Chemical name: 2,3-Dimethyl-6-(2',3',4',6'-tetra-O-acetyl-β-D-manno- pyranosyl)indolo[2,3-b]quinoxaline
• Formula: C30 H31 N3 O9
• Calculated formula: C30 H31 N3 O9
• SMILES: O1[C@@H](n2c3nc4c(nc3c3c2cccc3)cc(c(c4)C)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)
• Authors of publication: Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 4218 - 4223
• a: 6.48 ± 0.0001 Å
• b: 10.5889 ± 0.0002 Å
• c: 41.9162 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.12 ± 0.09 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: 0.0551
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No