Information card for entry 7231090
| Formula |
C31 H25.5 N2.5 O7 |
| Calculated formula |
C31 H23 N2.5 O7 |
| 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 |
13.1102 ± 0.0005 Å |
| b |
14.3955 ± 0.0006 Å |
| c |
30.2012 ± 0.0014 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
5699.8 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
60 |
| Hermann-Mauguin space group symbol |
P n c a |
| Hall space group symbol |
-P 2a 2n |
| Residual factor for all reflections |
0.1011 |
| Residual factor for significantly intense reflections |
0.068 |
| Weighted residual factors for significantly intense reflections |
0.1947 |
| Weighted residual factors for all reflections included in the refinement |
0.2262 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.035 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7231090.html
