Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520617
Preview
| Coordinates | 1520617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-NN-5-BrSali |
|---|---|
| Chemical name | 3-trimethylethylenediaminomethyl- 5-bromosalicyldehyde |
| Formula | C41 H48 Br N7 O3 |
| Calculated formula | C41 H48 Br N7 O3 |
| SMILES | Brc1cc(/C=N/N2C3(c4c(Oc5c3cc(c(NCC)c5)C)cc(NCC)c(c4)C)c3ccccc3C2=O)c(O)c(c1)CN(CCN(C)C)C.N#CC |
| Title of publication | Naked eye instant reversible sensing of Cu(2+) and its in situ imaging in live brine shrimp Artemia. |
| Authors of publication | Nair, Ratish R.; Raju, M.; Patel, Neha P.; Raval, Ishan H.; Suresh, E.; Haldar, Soumya; Chatterjee, Pabitra B. |
| Journal of publication | The Analyst |
| Year of publication | 2015 |
| Journal volume | 140 |
| Journal issue | 16 |
| Pages of publication | 5464 - 5468 |
| a | 11.7286 ± 0.0008 Å |
| b | 15.6534 ± 0.001 Å |
| c | 22.6519 ± 0.0015 Å |
| α | 93.311 ± 0.001° |
| β | 99.266 ± 0.001° |
| γ | 107.5 ± 0.001° |
| Cell volume | 3889.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520617.cif |
| 153060 | 2015-08-08 | cif/ Updating files of 1520617 Original log message: Adding full bibliography for 1520617.cif. |
1520617.cif |
| 139491 | 2015-06-23 | cif/ Adding structures of 1520617 via cif-deposit CGI script. |
1520617.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.