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Information card for entry 1554151
Preview
| Coordinates | 1554151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H68 N8 O10 |
|---|---|
| Calculated formula | C44 H68 N8 O10 |
| Title of publication | Stereoregular Two-Dimensional Polymers Constructed by Topochemical Polymerization |
| Authors of publication | Wang, Zhihan; Randazzo, Katelyn; Hou, Xiaodong; Simpson, Jeffrey; Struppe, Jochem; Ugrinov, Angel; Kastern, Brent; Wysocki, Erin; Chu, Qianli R. |
| Journal of publication | Macromolecules |
| Year of publication | 2015 |
| Journal volume | 48 |
| Journal issue | 9 |
| Pages of publication | 2894 |
| a | 9.226 ± 0.0003 Å |
| b | 20.5019 ± 0.0008 Å |
| c | 24.273 ± 0.0009 Å |
| α | 90° |
| β | 96.132 ± 0.001° |
| γ | 90° |
| Cell volume | 4565 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.2013 |
| Weighted residual factors for all reflections included in the refinement | 0.214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554151.cif |
| 236690 | 2019-11-24 | cif/ Adding structures of 1554149, 1554150, 1554151, 1554152, 1554153 via cif-deposit CGI script. |
1554151.cif |
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Users of the data should acknowledge the original authors of the
structural data.