Information card for entry 2011544

Structure parameters

• Chemical name: Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-O-acetyl-β-D- glucopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate
• Formula: C25 H29 N3 O13 S
• Calculated formula: C25 H29 N3 O13 S
• Title of publication: Methyl 2-methyl-6-methylthio-1,3-dioxo-4-[(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)amino]-2,3-dihydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridine-7-carboxylate
• Authors of publication: Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Sánchez, Adolfo; Nogueras, Manuel; López, M. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e526 - e527
• a: 10.1696 ± 0.0009 Å
• b: 6.9695 ± 0.0007 Å
• c: 21.526 ± 0.002 Å
• α: 90°
• β: 92.036 ± 0.005°
• γ: 90°
• Cell volume: 1524.7 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes