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Information card for entry 1577402
Preview
| Coordinates | 1577402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cl2 N4 |
|---|---|
| Calculated formula | C19 H16 Cl2 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 | 7.6087 ± 0.0004 Å |
| b | 12.681 ± 0.0008 Å |
| c | 18.7415 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1808.29 ± 0.18 Å3 |
| Cell temperature | 149 ± 2 K |
| Ambient diffraction temperature | 149 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
1577402.cif |
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Users of the data should acknowledge the original authors of the
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