Information card for entry 1501598

Structure parameters

• Formula: C24 H24 N3 O10 P
• Calculated formula: C24 H24 N3 O10 P
• SMILES: P(=O)(c1ccc(=O)[nH]c1)(c1c[nH]c(=O)cc1)c1c[nH]c(=O)cc1.OC(=O)C=C.OC(=O)C=C.OC(=O)C=C
• Title of publication: Molecular Tectonics: Porous Cleavable Networks Constructed by Dipole-Directed Stacking of Hydrogen-Bonded Sheets
• Authors of publication: Nadia Malek; Thierry Maris; Marie-Eve Perron; James D. Wuest
• Journal of publication: Angew. Chem. Int. Ed.
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4021 - 4025
• a: 17.4823 ± 0.0008 Å
• b: 17.4823 ± 0.0008 Å
• c: 5.0683 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1341.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1559
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2542
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No