Information card for entry 2311699
| Chemical name |
TW-10-14 1,8-di(iodoethynyl)anthracene, 1,2-bis(4-pyridyl)ethane |
| Formula |
C30 H20 I2 N2 |
| Calculated formula |
C30 H20 I2 N2 |
| Title of publication |
A new tecton with parallel halogen-bond donors: a path to supramolecular rectangles. |
| Authors of publication |
Wijethunga, Tharanga K.; Đaković, Marijana; Desper, John; Aakeröy, Christer B |
| Journal of publication |
Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication |
2017 |
| Journal volume |
73 |
| Journal issue |
Pt 2 |
| Pages of publication |
163 - 167 |
| a |
9.5153 ± 0.0016 Å |
| b |
9.6261 ± 0.0016 Å |
| c |
14.368 ± 0.003 Å |
| α |
96.346 ± 0.005° |
| β |
93.215 ± 0.005° |
| γ |
103.295 ± 0.004° |
| Cell volume |
1268.4 ± 0.4 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0279 |
| Residual factor for significantly intense reflections |
0.0254 |
| Weighted residual factors for significantly intense reflections |
0.066 |
| Weighted residual factors for all reflections included in the refinement |
0.0674 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| 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/2311699.html
