Information card for entry 1501599

Structure parameters

• Formula: C109 H180 N24 O20
• Calculated formula: C109 H180 N24 O20
• Title of publication: Molecular Tectonics. Disruption of Self-Association in Melts Derived from Hydrogen-Bonded Solids
• Authors of publication: Danielle Boils; Marie-Eve Perron; Francis Monchamp; Hugues Duval; Thierry Maris; James D. Wuest
• Journal of publication: Macromolecules
• Year of publication: 2004
• Journal volume: 37
• Pages of publication: 7351 - 7357
• a: 11.8715 ± 0.0003 Å
• b: 11.8715 ± 0.0003 Å
• c: 40.004 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5637.9 ± 0.3 ų
• Cell temperature: 226 ± 2 K
• Ambient diffraction temperature: 226 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2183
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No