Information card for entry 4110218

Structure parameters

• Formula: C24 H34 Br2 N6 O6 S2
• Calculated formula: C24 H20 Br2 N6 O6 S2
• Title of publication: Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders
• Authors of publication: Matthew J. Horner; K. Travis Holman; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14640 - 14660
• a: 18.52 ± 0.003 Å
• b: 22.903 ± 0.004 Å
• c: 7.7707 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3296 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No