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Information card for entry 7238680
Preview
| Coordinates | 7238680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H39 N7 O12 |
|---|---|
| Calculated formula | C45 H39 N7 O12 |
| Title of publication | Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly |
| Authors of publication | Singh, Ashutosh S.; Sun, Shih-Sheng |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 25 |
| Pages of publication | 9502 |
| a | 23.327 ± 0.014 Å |
| b | 11.333 ± 0.006 Å |
| c | 15.245 ± 0.009 Å |
| α | 90° |
| β | 99.697 ± 0.015° |
| γ | 90° |
| Cell volume | 3973 ± 4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2315 |
| Residual factor for significantly intense reflections | 0.17 |
| Weighted residual factors for significantly intense reflections | 0.4652 |
| Weighted residual factors for all reflections included in the refinement | 0.4923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.651 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244286 (current) | 2019-11-28 | cif/ Adding structures of 7238679, 7238680 via cif-deposit CGI script. |
7238680.cif |
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Users of the data should acknowledge the original authors of the
structural data.