Information card for entry 2202878

Structure parameters

• Common name: Glycoluril Diamide
• Chemical name: cis-N,N'-bis(2-hydroxyethyl)-4,8-dioxo-2,6-dioxa-3a,4a,7a,8a- tetraazacyclopenta[def]fluorene-8b,8c-dicarboxamide dihydrate
• Formula: C14 H24 N6 O10
• Calculated formula: C14 H24 N6 O10
• Title of publication: Glycoluril diamide dihydrate
• Authors of publication: Fettinger, James C.; Burnett, Christopher A.; Isaacs, Lyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1927 - o1929
• a: 28.0466 ± 0.0014 Å
• b: 9.0833 ± 0.0004 Å
• c: 14.7948 ± 0.0007 Å
• α: 90°
• β: 93.587 ± 0.001°
• γ: 90°
• Cell volume: 3761.7 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes