Information card for entry 2003911

Structure parameters

• Formula: C16 H20 N6 O4 S
• Calculated formula: C17 H14 N6 O4 S
• Title of publication: 9,9'-Thiobis(1,2,3,4,7,8-hexahydro-7-methyl-6<i>H</i>-pyrimido[1,6-<i>a</i>]pyrimidine-6,8-dione)
• Authors of publication: Kettmann, V.; Bozóová, A.; Rybár, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1861 - 1864
• a: 23.875 ± 0.011 Å
• b: 22.954 ± 0.01 Å
• c: 11.877 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6509 ± 5 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No