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Information card for entry 1554481
Preview
| Coordinates | 1554481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N2 O S2 |
|---|---|
| Calculated formula | C29 H28 N2 O S2 |
| Title of publication | Pyridine-terminated low gap π-conjugated oligomers: design, synthesis, and photophysical response to protonation and metalation |
| Authors of publication | Weldeab, Asmerom O.; Li, Lei; Cekli, Seda; Abboud, Khalil A.; Schanze, Kirk S.; Castellano, Ronald K. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3170 |
| a | 17.607 ± 0.0012 Å |
| b | 5.4871 ± 0.0004 Å |
| c | 25.7682 ± 0.0017 Å |
| α | 90° |
| β | 106.169 ± 0.0015° |
| γ | 90° |
| Cell volume | 2391 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237264 (current) | 2019-11-24 | cif/ Adding structures of 1554481 via cif-deposit CGI script. |
1554481.cif |
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Users of the data should acknowledge the original authors of the
structural data.