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Information card for entry 8000284
Preview
| Coordinates | 8000284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 B F2 N3 S |
|---|---|
| Calculated formula | C31 H30 B F2 N3 S |
| Title of publication | High-Throughput Single-Molecule Spectroscopy Resolves the Conformational Isomers of BODIPY Chromophores. |
| Authors of publication | Sansalone, Lorenzo; Zhang, Yang; Mazza, Mercedes M. A.; Davis, Janel L.; Song, Ki-Hee; Captain, Burjor; Zhang, Hao F.; Raymo, Françisco M |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2019 |
| Pages of publication | 6807 - 6812 |
| a | 10.8426 ± 0.0005 Å |
| b | 21.9098 ± 0.0011 Å |
| c | 11.8473 ± 0.0006 Å |
| α | 90° |
| β | 106.849 ± 0.001° |
| γ | 90° |
| Cell volume | 2693.6 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219629 (current) | 2019-10-28 | cif/ Adding structures of 8000284 via cif-deposit CGI script. |
8000284.cif |
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Users of the data should acknowledge the original authors of the
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