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Information card for entry 1552821
Preview
| Coordinates | 1552821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76.5 H87 Cl3 N8 |
|---|---|
| Calculated formula | C76.499 H86.998 Cl2.998 N8 |
| Title of publication | Main-Chain Zwitterionic Supramolecular Polymers Derived fromN-Heterocyclic Carbene‒Carbodiimide (NHC‒CDI) Adducts |
| Authors of publication | Gallagher, Nolan M.; Zhukhovitskiy, Aleksandr V.; Nguyen, Hung V.-T.; Johnson, Jeremiah A. |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 51 |
| Journal issue | 8 |
| Pages of publication | 3006 |
| a | 12.787 ± 0.0006 Å |
| b | 23.4658 ± 0.0009 Å |
| c | 23.0659 ± 0.001 Å |
| α | 90° |
| β | 96.736 ± 0.003° |
| γ | 90° |
| Cell volume | 6873.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0969 |
| Residual factor for significantly intense reflections | 0.0854 |
| Weighted residual factors for significantly intense reflections | 0.2445 |
| Weighted residual factors for all reflections included in the refinement | 0.2549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227458 (current) | 2019-11-12 | cif/ Adding structures of 1552821 via cif-deposit CGI script. |
1552821.cif |
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Users of the data should acknowledge the original authors of the
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