Information card for entry 1561447
| Chemical name |
1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene |
| Formula |
C43 H36 N6 |
| Calculated formula |
C43 H36 N6 |
| Title of publication |
Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions |
| Authors of publication |
Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
6.326 ± 0.0013 Å |
| b |
15.778 ± 0.003 Å |
| c |
16.684 ± 0.003 Å |
| α |
81.36 ± 0.03° |
| β |
89.31 ± 0.03° |
| γ |
88.89 ± 0.03° |
| Cell volume |
1646 ± 0.6 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.1359 |
| Residual factor for significantly intense reflections |
0.1136 |
| Weighted residual factors for significantly intense reflections |
0.2996 |
| Weighted residual factors for all reflections included in the refinement |
0.3197 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.218 |
| Diffraction radiation wavelength |
0.7 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1561447.html
