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Information card for entry 1552832
Preview
| Coordinates | 1552832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 O2 S4 |
|---|---|
| Calculated formula | C40 H50 O2 S4 |
| Title of publication | Effects of Side-Chain Topology on Aggregation of Conjugated Polymers |
| Authors of publication | McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J. |
| Journal of publication | Macromolecules |
| Year of publication | 2018 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 2580 |
| a | 14.877 ± 0.008 Å |
| b | 12.227 ± 0.007 Å |
| c | 21.508 ± 0.009 Å |
| α | 90° |
| β | 105.131 ± 0.007° |
| γ | 90° |
| Cell volume | 3777 ± 3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.3521 |
| Residual factor for significantly intense reflections | 0.1392 |
| Weighted residual factors for significantly intense reflections | 0.3096 |
| Weighted residual factors for all reflections included in the refinement | 0.3677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227466 (current) | 2019-11-12 | cif/ Adding structures of 1552832 via cif-deposit CGI script. |
1552832.cif |
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Users of the data should acknowledge the original authors of the
structural data.