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Information card for entry 7241053
Preview
| Coordinates | 7241053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Isoquinoline+Trifluoroacetate |
|---|---|
| Chemical name | 1 |
| Formula | C11 H8 F3 N O2 |
| Calculated formula | C11 H8 F3 N O2 |
| SMILES | [nH+]1cc2c(cc1)cccc2.FC(F)(F)C(=O)[O-] |
| Title of publication | Fluorescence enhancement of quinolines by protonation |
| Authors of publication | Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 49 |
| Pages of publication | 29385 - 29393 |
| a | 4.7905 ± 0.0003 Å |
| b | 10.1855 ± 0.0007 Å |
| c | 11.2559 ± 0.0009 Å |
| α | 78.836 ± 0.001° |
| β | 80.287 ± 0.002° |
| γ | 80.584 ± 0.002° |
| Cell volume | 526.21 ± 0.06 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.1334 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241053.cif |
| 258123 | 2020-10-06 | cif/ Updating files of 7241053, 7241054, 7241055, 7241056, 7241057, 7241058, 7241059, 7241060, 7241061, 7241062, 7241063, 7241064, 7241065, 7241066 Original log message: Adding full bibliography for 7241053--7241066.cif. |
7241053.cif |
| 255293 | 2020-08-13 | cif/ Adding structures of 7241053, 7241054, 7241055, 7241056, 7241057, 7241058, 7241059, 7241060, 7241061, 7241062, 7241063, 7241064, 7241065, 7241066 via cif-deposit CGI script. |
7241053.cif |
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Users of the data should acknowledge the original authors of the
structural data.