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Information card for entry 1548844
Preview
| Coordinates | 1548844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 N3 O5 |
|---|---|
| Calculated formula | C18 H17 N3 O5 |
| SMILES | O=N(=O)c1cc2C(=O)N(CCN3CCOCC3)C(=O)c3cccc(c1)c23 |
| Title of publication | A New Lysosome Targetable Turn-On Fluorogenic Probe for Carbon Monoxide Imaging in Living Cells. |
| Authors of publication | Dhara, Koushik; Lohar, Somenath; Patra, Ayan; Roy, Priya; Saha, Swadhin Kumar; Sadhukhan, Gobinda Chandra; Chattopadhyay, Pabitra |
| Journal of publication | Analytical chemistry |
| Year of publication | 2018 |
| a | 6.7656 ± 0.0005 Å |
| b | 10.4687 ± 0.0009 Å |
| c | 23.6305 ± 0.0017 Å |
| α | 90° |
| β | 91.552 ± 0.005° |
| γ | 90° |
| Cell volume | 1673.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.2019 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.2074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548844.cif |
| 206044 | 2018-02-02 | cif/ Adding structures of 1548844 via cif-deposit CGI script. |
1548844.cif |
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Users of the data should acknowledge the original authors of the
structural data.