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Information card for entry 1577399
Preview
| Coordinates | 1577399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N4 |
|---|---|
| Calculated formula | C14 H12 N4 |
| Title of publication | Large Stokes shift fluorophores from meta-substituted zwitterions |
| Authors of publication | Hogan, David Thomas; Krappe, Alexander R.; Feyerherm, R.; Weber, Manuela; Resch-Genger, Ute; Eigler, Siegfried |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 8.0059 ± 0.0003 Å |
| b | 7.6326 ± 0.0003 Å |
| c | 19.6494 ± 0.0008 Å |
| α | 90° |
| β | 96.704 ± 0.003° |
| γ | 90° |
| Cell volume | 1192.48 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306586 (current) | 2026-06-17 | cif/ Adding structures of 1577399, 1577400, 1577401, 1577402 via cif-deposit CGI script. |
1577399.cif |
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Users of the data should acknowledge the original authors of the
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