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Information card for entry 7231087
Preview
| Coordinates | 7231087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H35 N4 O4 |
|---|---|
| Calculated formula | C48 H35 N4 O4 |
| Title of publication | Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors |
| Authors of publication | Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 31 |
| Pages of publication | 4463 |
| a | 12.4512 ± 0.0009 Å |
| b | 19.7388 ± 0.0014 Å |
| c | 14.6081 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3590.3 ± 0.5 Å3 |
| Cell temperature | 172.8 ± 0.3 K |
| Ambient diffraction temperature | 172.8 ± 0.3 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7231087.html
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structural data.