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Information card for entry 7230136
Preview
| Coordinates | 7230136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,6-Diethyl-1,3,5,7-tetramethyl-8-(10-methylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene |
|---|---|
| Formula | C32 H33 B F2 N2 |
| Calculated formula | C32 H33 B F2 N2 |
| SMILES | n12c(c(c(c1C(=c1c(c(c([n]1[B]2(F)F)C)CC)C)c1c2ccccc2c(c2ccccc12)C)C)CC)C |
| 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 | 15.836 ± 0.006 Å |
| b | 20.573 ± 0.007 Å |
| c | 7.781 ± 0.003 Å |
| α | 90° |
| β | 101.878 ± 0.008° |
| γ | 90° |
| Cell volume | 2480.7 ± 1.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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 |
|---|---|---|---|
| 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. |
7230136.cif |
| 206397 | 2018-02-13 | cif/ Adding structures of 7230130, 7230131, 7230132, 7230133, 7230134, 7230135, 7230136 via cif-deposit CGI script. |
7230136.cif |
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Users of the data should acknowledge the original authors of the
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