Information card for entry 7230107
| Common name |
tetrakis(4-thyminylmethylphenyl)methane |
| Chemical name |
1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]hemimethanol solvate |
| Formula |
C49.5 H46 N8 O8.5 |
| Calculated formula |
C49.5 H46 N8 O8.5 |
| Title of publication |
2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane |
| Authors of publication |
Qi, L.; Gundersen, L.-L.; Görbitz, C. H. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
9 |
| Pages of publication |
1179 |
| a |
14.4613 ± 0.0017 Å |
| b |
20.326 ± 0.002 Å |
| c |
23.303 ± 0.003 Å |
| α |
65.194 ± 0.003° |
| β |
85.341 ± 0.003° |
| γ |
73.765 ± 0.003° |
| Cell volume |
5964.6 ± 1.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.1112 |
| Residual factor for significantly intense reflections |
0.0727 |
| Weighted residual factors for significantly intense reflections |
0.1813 |
| Weighted residual factors for all reflections included in the refinement |
0.2044 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.019 |
| 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/7230107.html
