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Information card for entry 7120807
Preview
| Coordinates | 7120807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PgC4, Pro, DMF, Mg |
|---|---|
| Chemical name | C-butylpyrogallol[4]arene, proline, dimethylformamide, magnesium |
| Formula | C306 H342 Mg24 N10 O116 |
| Calculated formula | C306 H342 Mg24 N10 O116 |
| Title of publication | Novel Magnesium-Seamed Organic Nanocapsules with Hierarchical Structural Complexity |
| Authors of publication | Zhang, Chen; Patil, Rahul S.; Barnes, Charles L.; Atwood, Jerry L. |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 28.261 ± 0.006 Å |
| b | 36.059 ± 0.007 Å |
| c | 21.798 ± 0.004 Å |
| α | 90 ± 0.03° |
| β | 117.95 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 19622 ± 9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1267 |
| Residual factor for significantly intense reflections | 0.1211 |
| Weighted residual factors for significantly intense reflections | 0.3467 |
| Weighted residual factors for all reflections included in the refinement | 0.3625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.777 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202238 (current) | 2017-10-21 | cif/ Adding structures of 7120807, 7120808, 7120809 via cif-deposit CGI script. |
7120807.cif |
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Users of the data should acknowledge the original authors of the
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