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Information card for entry 1548990
Preview
| Coordinates | 1548990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate |
|---|---|
| Formula | C22 H15 F6 O2 P |
| Calculated formula | C22 H15 F6 O2 P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].O1c2c3c(C(C)(C)c4cccc5Oc6c([C+]3c45)c1ccc6)ccc2 |
| Title of publication | Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. |
| Authors of publication | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 12 |
| Pages of publication | 3122 - 3130 |
| a | 8.4805 ± 0.0005 Å |
| b | 8.5013 ± 0.0004 Å |
| c | 14.7698 ± 0.0008 Å |
| α | 74.017 ± 0.002° |
| β | 89.013 ± 0.002° |
| γ | 64.503 ± 0.002° |
| Cell volume | 917.65 ± 0.09 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0823 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228865 (current) | 2019-11-17 | cif/ Updating files of 1548989, 1548990, 1548991, 1548992 Original log message: Adding full bibliography for 1548989--1548992.cif. |
1548990.cif |
| 206635 | 2018-02-24 | cif/ Adding structures of 1548989, 1548990, 1548991, 1548992 via cif-deposit CGI script. |
1548990.cif |
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Users of the data should acknowledge the original authors of the
structural data.