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Information card for entry 1543182
Preview
| Coordinates | 1543182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H28 F3 N3 O4 S |
|---|---|
| Calculated formula | C27 H28 F3 N3 O4 S |
| SMILES | FC(F)(F)c1ccc(NC(=O)Nc2ccc3c4c(cccc24)C(=O)N(C3=O)CCCCC)cc1.S(=O)(C)C |
| Title of publication | Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells |
| Authors of publication | Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 5069 |
| a | 9.1633 ± 0.0007 Å |
| b | 9.3697 ± 0.0007 Å |
| c | 16.2725 ± 0.0013 Å |
| α | 80.079 ± 0.007° |
| β | 75.592 ± 0.007° |
| γ | 68.886 ± 0.007° |
| Cell volume | 1257.03 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1711 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.1784 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| 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. |
1543182.cif |
| 185150 | 2016-08-07 | cif/ Updating files of 1543182 Original log message: Adding full bibliography for 1543182.cif. |
1543182.cif |
| 182322 | 2016-04-28 | cif/ Adding structures of 1543182 via cif-deposit CGI script. |
1543182.cif |
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Users of the data should acknowledge the original authors of the
structural data.