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Information card for entry 7230133
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| Coordinates | 7230133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,5-Dimethyl-8-(4-(10-phenylanthracen-9-yl)phenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene |
|---|---|
| Formula | C37 H27 B F2 N2 |
| Calculated formula | C37 H27 B F2 N2 |
| Title of publication | Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors. |
| Authors of publication | Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 8016 - 8031 |
| a | 10.3605 ± 0.0016 Å |
| b | 13.301 ± 0.002 Å |
| c | 21.611 ± 0.004 Å |
| α | 76.897 ± 0.003° |
| β | 82.836 ± 0.006° |
| γ | 73.801 ± 0.005° |
| Cell volume | 2779.4 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1347 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230948 (current) | 2019-11-17 | cif/ Updating files of 7230130, 7230131, 7230132, 7230133, 7230134, 7230135, 7230136 Original log message: Adding full bibliography for 7230130--7230136.cif. |
7230133.cif |
| 206397 | 2018-02-13 | cif/ Adding structures of 7230130, 7230131, 7230132, 7230133, 7230134, 7230135, 7230136 via cif-deposit CGI script. |
7230133.cif |
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Users of the data should acknowledge the original authors of the
structural data.