Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709306
Preview
Coordinates | 7709306.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H15 N3 O3 |
---|---|
Calculated formula | C20 H15 N3 O3 |
SMILES | o1c2c(c(cc1=O)C)ccc(O)c2/C=N/c1n[nH]c(c2ccccc2)c1 |
Title of publication | Idiosyncatic recognition of Zn<sup>2+</sup> and CN<sup>-</sup> using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand. |
Authors of publication | Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2022 |
Journal volume | 51 |
Journal issue | 8 |
Pages of publication | 3198 - 3212 |
a | 11.8984 ± 0.001 Å |
b | 12.8002 ± 0.001 Å |
c | 11.1706 ± 0.0009 Å |
α | 90° |
β | 101.831 ± 0.002° |
γ | 90° |
Cell volume | 1665.2 ± 0.2 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0671 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7709306.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.