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Information card for entry 7059822
Preview
| Coordinates | 7059822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H23 F6 N4 O2 P |
|---|---|
| Calculated formula | C18 H23 F6 N4 O2 P |
| SMILES | O1CCN(c2nc(ccc2)c2[nH+]c(N3CCOCC3)ccc2)CC1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Structure controlled solvatochromism and halochromic fluorescence switching of 2,2′-bipyridine based donor–acceptor derivatives |
| Authors of publication | Nagarasu, Palaniyappan; Kundu, Anu; Pitchaimani, Jayaraman; Anthony, Savarimuthu Philip; Moon, Dohyun; Madhu, Vedichi |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 34 |
| Pages of publication | 14421 - 14428 |
| a | 7.18 ± 0.0014 Å |
| b | 14.821 ± 0.003 Å |
| c | 19.057 ± 0.004 Å |
| α | 90° |
| β | 98.31 ± 0.03° |
| γ | 90° |
| Cell volume | 2006.7 ± 0.7 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 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 | 0.151 |
| Residual factor for significantly intense reflections | 0.1179 |
| Weighted residual factors for significantly intense reflections | 0.3022 |
| Weighted residual factors for all reflections included in the refinement | 0.3195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.63 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059822.cif |
| 257879 | 2020-10-06 | cif/ Updating files of 7059820, 7059821, 7059822 Original log message: Adding full bibliography for 7059820--7059822.cif. |
7059822.cif |
| 256150 | 2020-09-06 | cif/ Updating files of 7059820, 7059821, 7059822 Original log message: Adding full bibliography for 7059820--7059822.cif. |
7059822.cif |
| 254617 | 2020-07-28 | cif/ Adding structures of 7059820, 7059821, 7059822 via cif-deposit CGI script. |
7059822.cif |
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Users of the data should acknowledge the original authors of the
structural data.