Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058324
Preview
| Coordinates | 7058324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BBu2-HDHDP |
|---|---|
| Formula | C23 H37 B N2 O2 |
| Calculated formula | C23 H37 B N2 O2 |
| Title of publication | New molecular design for blue BODIPYs |
| Authors of publication | Wu, Zhiyuan; Fujita, Hikaru; Magdaong, Nikki Cecil M.; Diers, James R.; Hood, Don; Allu, Srinivasarao; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 19 |
| Pages of publication | 7233 |
| a | 11.8186 ± 0.0002 Å |
| b | 9.1192 ± 0.0002 Å |
| c | 22.4535 ± 0.0005 Å |
| α | 90° |
| β | 103.951 ± 0.0008° |
| γ | 90° |
| Cell volume | 2348.57 ± 0.08 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058324.cif |
| 224832 | 2019-11-08 | cif/ Updating files of 7058324, 7058325, 7058326 Original log message: Adding full bibliography for 7058324--7058326.cif. |
7058324.cif |
| 214741 | 2019-04-24 | cif/ Adding structures of 7058324, 7058325, 7058326 via cif-deposit CGI script. |
7058324.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.