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Information card for entry 7234629
Preview
| Coordinates | 7234629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 F6 N4 O4 |
|---|---|
| Calculated formula | C20 H14 F6 N4 O4 |
| SMILES | [O-]C(=O)C(F)(F)F.OC(=O)C(F)(F)F.N#Cc1c([n+]2c(cc1C#N)C(C)(C)c1c2cccc1)N |
| Title of publication | A fluorescent and halochromic indolizine switch |
| Authors of publication | Yang Zhang; Jaume Garcia-Amoros; Burjor Captain; Francisco M. Raymo |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 2744 - 2747 |
| a | 8.601 ± 0.0004 Å |
| b | 21.0213 ± 0.001 Å |
| c | 11.9369 ± 0.0006 Å |
| α | 90° |
| β | 104.717 ± 0.001° |
| γ | 90° |
| Cell volume | 2087.43 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0493 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219359 (current) | 2019-10-15 | cif/ Adding structures of 7234628, 7234629 via cif-deposit CGI script. |
7234629.cif |
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Users of the data should acknowledge the original authors of the
structural data.