Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055535
Preview
| Coordinates | 7055535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H21 B Cl2 N4 O |
|---|---|
| Calculated formula | C29 H21 B Cl2 N4 O |
| Title of publication | Boron templated synthesis of a BODIPY analogue from a phthalocyanine precursor |
| Authors of publication | Crandall, Laura A.; Rhoda, Hannah M.; Nemykin, Victor N.; Ziegler, Christopher J. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 7 |
| Pages of publication | 5675 |
| a | 8.8161 ± 0.0005 Å |
| b | 10.6099 ± 0.0006 Å |
| c | 13.5285 ± 0.0008 Å |
| α | 78.972 ± 0.002° |
| β | 86.357 ± 0.003° |
| γ | 84.524 ± 0.003° |
| Cell volume | 1235.06 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1833 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| 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. |
7055535.cif |
| 185564 | 2016-08-07 | cif/ Updating files of 7055534, 7055535, 7055536 Original log message: Adding full bibliography for 7055534--7055536.cif. |
7055535.cif |
| 182584 | 2016-05-05 | cif/ Adding structures of 7055534, 7055535, 7055536 via cif-deposit CGI script. |
7055535.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.