Information card for entry 2226243

Structure parameters

• Chemical name: 3-Ethyl-8-methoxy-4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-D- glucopyranosyloxy)quinolin-2(1<i>H</i>)-one
• Formula: C26 H31 N O12
• Calculated formula: C26 H31 N O12
• Title of publication: 3-Ethyl-8-methoxy-4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyloxy)quinolin-2(1<i>H</i>)-one
• Authors of publication: Kimmel, Roman; Nečas, Marek; Kafka, Stanislav; Košmrlj, Janez; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1328 - o1329
• a: 5.36993 ± 0.00011 Å
• b: 19.2205 ± 0.0006 Å
• c: 27.2479 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2812.33 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes