Information card for entry 4023492

Structure parameters

• Formula: C26 H28 N8 O6
• Calculated formula: C26 H28 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: 11.6354 ± 0.0002 Å
• b: 14.5303 ± 0.0003 Å
• c: 16.3846 ± 0.0004 Å
• α: 67.621 ± 0.002°
• β: 79.274 ± 0.002°
• γ: 83.56 ± 0.002°
• Cell volume: 2514.1 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No