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Information card for entry 1548991
Preview
Coordinates | 1548991.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | '8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate' |
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Formula | C23 H18 F6 N O P |
Calculated formula | C23 H18 F6 N O P |
SMILES | [P](F)(F)(F)(F)(F)[F-].O1c2cccc3[n+](C)c4c5c(c6c1cccc6C(C)(C)c5ccc4)c23 |
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 | 14.162 ± 0.003 Å |
b | 15.264 ± 0.004 Å |
c | 20.039 ± 0.005 Å |
α | 87.939 ± 0.005° |
β | 85.555 ± 0.008° |
γ | 62.365 ± 0.008° |
Cell volume | 3826.1 ± 1.6 Å3 |
Cell temperature | 122.4 K |
Ambient diffraction temperature | 122.4 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2891 |
Residual factor for significantly intense reflections | 0.2362 |
Weighted residual factors for significantly intense reflections | 0.5448 |
Weighted residual factors for all reflections included in the refinement | 0.5657 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548991.html
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Users of the data should acknowledge the original authors of the
structural data.