Information card for entry 2008302

Structure parameters

• Chemical name: [(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate
• Formula: C18 H22 N4 O9
• Calculated formula: C18 H22 N4 O9
• Title of publication: (3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate
• Authors of publication: Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 452 - 454
• a: 7.941 ± 0.003 Å
• b: 17.481 ± 0.002 Å
• c: 14.511 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.4 ± 0.9 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes