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Information card for entry 1548989
Preview
Coordinates | 1548989.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate |
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Formula | C21 H15 F6 N2 O P |
Calculated formula | C21 H15 F6 N2 O P |
SMILES | [P](F)(F)(F)(F)(F)[F-].O1c2c3[C+]4c5c(N(C)c6c4c1ccc6)cccc5N(c3ccc2)C |
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 | 6.861 ± 0.003 Å |
b | 10.695 ± 0.004 Å |
c | 23.818 ± 0.01 Å |
α | 90° |
β | 96.101 ± 0.014° |
γ | 90° |
Cell volume | 1737.8 ± 1.2 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.2257 |
Weighted residual factors for all reflections included in the refinement | 0.235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
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. |
1548989.cif |
206635 | 2018-02-24 | cif/ Adding structures of 1548989, 1548990, 1548991, 1548992 via cif-deposit CGI script. |
1548989.cif |
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Users of the data should acknowledge the original authors of the
structural data.