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Information card for entry 7239276
Preview
| Coordinates | 7239276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 F3 N2 O4 S |
|---|---|
| Calculated formula | C18 H15 F3 N2 O4 S |
| Title of publication | Fluorescent anion sensing by bisquinolinium pyridine-2,6-dicarboxamide receptors in water |
| Authors of publication | Dorazco-González, Alejandro; Alamo, Marcos Flores; Godoy-Alcántar, Carolina; Höpfl, Herbert; Yatsimirsky, Anatoly K. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 455 |
| a | 8.454 ± 0.0003 Å |
| b | 15.135 ± 0.0005 Å |
| c | 14.548 ± 0.0005 Å |
| α | 90° |
| β | 104.356 ± 0.003° |
| γ | 90° |
| Cell volume | 1803.31 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239276.cif |
| 244630 | 2019-11-28 | cif/ Adding structures of 7239274, 7239275, 7239276, 7239277, 7239278 via cif-deposit CGI script. |
7239276.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.