Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551917
Preview
| Coordinates | 1551917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 18gtu172_ET1_bas |
|---|---|
| Chemical name | bodipy |
| Formula | C33 H27 B F2 N2 O |
| Calculated formula | C33 H27 B F2 N2 O |
| SMILES | [B]1([n]2c(=C(c3n1c(cc3C)/C=C/c1ccccc1)c1ccc(O)cc1)c(cc2/C=C/c1ccccc1)C)(F)F |
| Title of publication | Novel ruthenium(ii) and iridium(iii) BODIPY dyes: insights into their application in photodynamic therapy in vitro. |
| Authors of publication | Aksakal, Nuray Esra; Tanrıverdi Eçik, Esra; Kazan, Hasan Hüseyin; Yenilmez Çiftçi, Gönül; Yuksel, Fatma |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2019 |
| Journal volume | 18 |
| Journal issue | 8 |
| Pages of publication | 2012 - 2022 |
| a | 26.758 ± 0.009 Å |
| b | 9.137 ± 0.002 Å |
| c | 22.861 ± 0.006 Å |
| α | 90° |
| β | 109.102 ± 0.018° |
| γ | 90° |
| Cell volume | 5281 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1025 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1584 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551917.cif |
| 225318 | 2019-11-08 | cif/ Updating files of 1551917, 1551918 Original log message: Adding full bibliography for 1551917--1551918.cif. |
1551917.cif |
| 216637 | 2019-06-29 | cif/ Adding structures of 1551917, 1551918 via cif-deposit CGI script. |
1551917.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.