Information card for entry 4023493

Structure parameters

• Formula: C16 H24 N8 O6
• Calculated formula: C16 H24 N8 O6
• Title of publication: Glycoluril Dimers Bearing Hydrogen Atoms on Their Convex Face and Their Self-Assembly in the Solid State
• Authors of publication: Marek Stancl; Marek Necas; Jan Taraba; Vladimir Sindelar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 4671 - 4675
• a: 14.2374 ± 0.001 Å
• b: 11.5705 ± 0.0008 Å
• c: 11.8722 ± 0.0008 Å
• α: 90°
• β: 112.698 ± 0.009°
• γ: 90°
• Cell volume: 1804.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No