Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233426
Preview
| Coordinates | 7233426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N4-[(9-anthracenyl)methyl]-2,4-diamino-3,5,6-trifluoropyridine 18-crown-6, associate 2:1 |
|---|---|
| Formula | C52 H52 F6 N6 O6 |
| Calculated formula | C52 H52 F6 N6 O6 |
| Title of publication | Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6 |
| Authors of publication | Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 39 |
| Pages of publication | 5931 |
| a | 15.8794 ± 0.0006 Å |
| b | 13.2887 ± 0.0006 Å |
| c | 11.502 ± 0.0004 Å |
| α | 90° |
| β | 98.93 ± 0.002° |
| γ | 90° |
| Cell volume | 2397.69 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0633 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223567 (current) | 2019-11-07 | cif/ Updating files of 7233421, 7233422, 7233423, 7233424, 7233425, 7233426, 7233427, 7233428, 7233429, 7233430, 7233431, 7233432 Original log message: Adding full bibliography for 7233421--7233432.cif. |
7233426.cif |
| 217687 | 2019-08-24 | cif/ Adding structures of 7233421, 7233422, 7233423, 7233424, 7233425, 7233426, 7233427, 7233428, 7233429, 7233430, 7233431, 7233432 via cif-deposit CGI script. |
7233426.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.