Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216860
Preview
| Coordinates | 7216860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N4 O2 |
|---|---|
| Calculated formula | C20 H14 N4 O2 |
| SMILES | O=N(=O)c1ccc(C2n3c(c4ccccc4N2)nc2c3cccc2)cc1 |
| Title of publication | Substituent effect on fluorescence signaling of the cell permeable HSO4− receptors through single point to ratiometric response in green solvent |
| Authors of publication | Mukherjee, Manjira; Pal, Siddhartha; Sen, Buddhadeb; Lohar, Somenath; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 53 |
| Pages of publication | 27665 |
| a | 12.0792 ± 0.0005 Å |
| b | 9.1171 ± 0.0004 Å |
| c | 15.1341 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1666.68 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194043 (current) | 2017-03-07 | cif/7/21/68/ (antanas@echidna.ibt.lt) Removing the '_publ_section_author' data item since it was not found in the core CIF dictionary and the same information was already provided in the official bibliography data items. No information was lost by removing this data item. |
7216860.cif |
| 180499 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68. |
7216860.cif |
| 118238 | 2014-06-27 | cif/ Adding structures of 7216860 via cif-deposit CGI script. |
7216860.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.