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Information card for entry 1501598
Preview
| Coordinates | 1501598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
Version history
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Users of the data should acknowledge the original authors of the
structural data.