Information card for entry 2222553

Structure parameters

• Chemical name: Ethyl 5-[(1<i>H</i>-benzoimidazol-2-yl)aminocarbonyl]-4-hydroxy-2-methyl-6-oxo-\ 1-propyl-1,6-dihydropyridine-3-carboxylate‒ethanol‒methanol (4/2/1)
• Formula: C85 H104 N16 O23
• Calculated formula: C85 H104 N16 O23
• Title of publication: Ethyl 5-[(1<i>H</i>-benzoimidazol-2-yl)aminocarbonyl]-4-hydroxy-2-methyl-6-oxo-1-propyl-1,6-dihydropyridine-3-carboxylate‒ethanol‒methanol (4/2/1)
• Authors of publication: Shishkina, Svetlana V.; Shishkin, Oleg V.; Ukrainets, Igor V.; Tkach, Andrei A.; Grinevich, Lina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1984
• a: 10.5527 ± 0.0004 Å
• b: 13.972 ± 0.0004 Å
• c: 16.0242 ± 0.0005 Å
• α: 86.804 ± 0.003°
• β: 70.98 ± 0.003°
• γ: 78.652 ± 0.003°
• Cell volume: 2189.9 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes