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Information card for entry 1544240
Preview
| Coordinates | 1544240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | eisrs02 |
|---|---|
| Formula | C23 H23 F6 N2 O P |
| Calculated formula | C23 H23 F6 N2 O P |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[o+]1c2cc(N(C)C)ccc2c(c2c1cc(N(C)C)cc2)c1ccccc1 |
| Title of publication | A comparative study of the photophysics of phenyl, thienyl, and chalcogen substituted rhodamine dyes. |
| Authors of publication | Sabatini, Randy P.; Mark, Michael F.; Mark, Daniel J.; Kryman, Mark W.; Hill, Jacqueline E.; Brennessel, William W.; Detty, Michael R.; Eisenberg, Richard; McCamant, David W. |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2016 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 1417 - 1432 |
| a | 8.1397 ± 0.0009 Å |
| b | 15.2283 ± 0.0016 Å |
| c | 18.0213 ± 0.0019 Å |
| α | 90° |
| β | 102.251 ± 0.002° |
| γ | 90° |
| Cell volume | 2182.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 6 |
| 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 | 0.0798 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544240.cif |
| 190278 | 2017-01-09 | cif/ Updating files of 1544240, 1544241 Original log message: Adding full bibliography for 1544240--1544241.cif. |
1544240.cif |
| 186893 | 2016-10-04 | cif/ Adding structures of 1544240, 1544241 via cif-deposit CGI script. |
1544240.cif |
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Users of the data should acknowledge the original authors of the
structural data.