Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121277
Preview
Coordinates | 7121277.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 B F2 N3 O |
---|---|
Calculated formula | C20 H20 B F2 N3 O |
SMILES | F[B]1(F)[n]2c(=C(c3n1ccc3)c1ccc(cc1)C)ccc2N1CCOCC1 |
Title of publication | Silver-mediated direct C-H amination of BODIPYs for screening endoplasmic reticulum-targeting reagents. |
Authors of publication | Zhang, Huaxing; Chen, Xingyu; Lan, Jingbo; Liu, Yanhong; Zhou, Fulin; Wu, Di; You, Jingsong |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2018 |
Journal volume | 54 |
Journal issue | 26 |
Pages of publication | 3219 - 3222 |
a | 15.2429 ± 0.0005 Å |
b | 8.7432 ± 0.0002 Å |
c | 15.0494 ± 0.0004 Å |
α | 90° |
β | 115.235 ± 0.003° |
γ | 90° |
Cell volume | 1814.25 ± 0.1 Å3 |
Cell temperature | 294.24 ± 0.1 K |
Ambient diffraction temperature | 294.24 ± 0.1 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 | 0.0857 |
Residual factor for significantly intense reflections | 0.0795 |
Weighted residual factors for significantly intense reflections | 0.1858 |
Weighted residual factors for all reflections included in the refinement | 0.1974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7121277.html
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.