Information card for entry 7242565
| Common name |
PHZMP |
| Chemical name |
2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine |
| Formula |
C28 H24 N4 |
| Calculated formula |
C28 H24 N4 |
| SMILES |
N1c2ccc(cc2CNc2ccc(cc2C1)/C=C/c1cnccc1)/C=C/c1cnccc1 |
| Title of publication |
Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method |
| Authors of publication |
Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
17 |
| Pages of publication |
3152 - 3159 |
| a |
9.4388 ± 0.0006 Å |
| b |
9.4605 ± 0.0005 Å |
| c |
12.5876 ± 0.0008 Å |
| α |
94.094 ± 0.005° |
| β |
103.85 ± 0.005° |
| γ |
105.273 ± 0.005° |
| Cell volume |
1041.89 ± 0.12 Å3 |
| Cell temperature |
100 ± 0.1 K |
| Ambient diffraction temperature |
100 ± 0.1 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0828 |
| Residual factor for significantly intense reflections |
0.0625 |
| Weighted residual factors for significantly intense reflections |
0.1599 |
| Weighted residual factors for all reflections included in the refinement |
0.1832 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7242565.html
