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Information card for entry 1501549
Preview
| Coordinates | 1501549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H44 N6 O4 |
|---|---|
| Calculated formula | C26 H44 N6 O4 |
| Title of publication | Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids |
| Authors of publication | Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2011 |
| Journal volume | 115 |
| Pages of publication | 12908 - 12919 |
| a | 7.5805 ± 0.0006 Å |
| b | 11.1838 ± 0.0009 Å |
| c | 25.627 ± 0.002 Å |
| α | 94.378 ± 0.004° |
| β | 92.854 ± 0.004° |
| γ | 101.374 ± 0.003° |
| Cell volume | 2119.1 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.1419 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.2141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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