Information card for entry 7151023

Structure parameters

• Chemical name: 13-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)-5,12,13- triazaindeno[1,2-b]anthracene
• Formula: C30 H27 N3 O7
• Calculated formula: C30 H27 N3 O7
• SMILES: O1[C@H](n2c3nc4c(nc3c3c2cccc3)cc2ccccc2c4)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1C
• 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: 13.123 ± 0.0009 Å
• b: 7.1019 ± 0.0005 Å
• c: 14.4491 ± 0.001 Å
• α: 90°
• β: 90.077 ± 0.004°
• γ: 90°
• Cell volume: 1346.63 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No