Information card for entry 7157817
| Chemical name |
1,4-Bis(methaneslufonyl)benzene |
| Formula |
C8 H10 O4 S2 |
| Calculated formula |
C8 H10 O4 S2 |
| Title of publication |
<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery. |
| Authors of publication |
Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2021 |
| Journal volume |
19 |
| Journal issue |
2 |
| Pages of publication |
446 - 456 |
| a |
5.3453 ± 0.0001 Å |
| b |
6.6576 ± 0.0001 Å |
| c |
6.9904 ± 0.0001 Å |
| α |
86.1628 ± 0.0001° |
| β |
88.9324 ± 0.0001° |
| γ |
82.6823 ± 0.0001° |
| Cell volume |
246.174 ± 0.007 Å3 |
| Cell temperature |
90 K |
| Ambient diffraction temperature |
90 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 |
0.038 |
| Residual factor for significantly intense reflections |
0.0312 |
| Weighted residual factors for significantly intense reflections |
0.0723 |
| Weighted residual factors for all reflections included in the refinement |
0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| 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/7157817.html
