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Information card for entry 1514367
Preview
| Coordinates | 1514367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H38 Cl2 N4 O3 |
|---|---|
| Calculated formula | C37 H38 Cl2 N4 O3 |
| SMILES | c1(c(cc(cc1/C=N/CCN1C(=O)c2ccccc2C21c1ccc(cc1Oc1cc(ccc21)N(CC)CC)N(CC)CC)Cl)Cl)O |
| Title of publication | A dual channel optical detector for trace water chemodosimetry and imaging of live cells. |
| Authors of publication | Men, Guangwen; Zhang, Guirong; Liang, Chunshuang; Liu, Huiling; Yang, Bing; Pan, Yuyu; Wang, Zhenyu; Jiang, Shimei |
| Journal of publication | The Analyst |
| Year of publication | 2013 |
| Journal volume | 138 |
| Journal issue | 10 |
| Pages of publication | 2847 - 2857 |
| a | 13.066 ± 0.005 Å |
| b | 9.757 ± 0.003 Å |
| c | 29.525 ± 0.011 Å |
| α | 90° |
| β | 116 ± 0.017° |
| γ | 90° |
| Cell volume | 3383 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.1917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514367.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514367.cif |
| 109991 | 2014-04-18 | cif/ Adding structures of 1514367 via cif-deposit CGI script. |
1514367.cif |
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Users of the data should acknowledge the original authors of the
structural data.