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Information card for entry 4003859
Preview
| Coordinates | 4003859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 N2 O2 S2 |
|---|---|
| Calculated formula | C26 H30 N2 O2 S2 |
| Title of publication | Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers |
| Authors of publication | Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 2 |
| Pages of publication | 706 - 718 |
| a | 8.8931 ± 0.0004 Å |
| b | 10.3264 ± 0.0005 Å |
| c | 14.3451 ± 0.0007 Å |
| α | 103.923 ± 0.003° |
| β | 92.734 ± 0.003° |
| γ | 106.388 ± 0.003° |
| Cell volume | 1217.22 ± 0.1 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299.46 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261427 (current) | 2021-02-04 | cif/ Adding structures of 4003859 via cif-deposit CGI script. |
4003859.cif |
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Users of the data should acknowledge the original authors of the
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