Information card for entry 7246451
| Formula |
C46 H47 N5 |
| Calculated formula |
C46 H47 N5 |
| Title of publication |
A molecular sponge that exclusively adsorbs acetonitrile |
| Authors of publication |
Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke |
| Journal of publication |
CrystEngComm |
| Year of publication |
2023 |
| Journal volume |
25 |
| Journal issue |
16 |
| Pages of publication |
2349 - 2352 |
| a |
14.404 ± 0.007 Å |
| b |
14.404 ± 0.007 Å |
| c |
9.018 ± 0.008 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1871 ± 2 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
104 |
| Hermann-Mauguin space group symbol |
P 4 n c |
| Hall space group symbol |
P 4 -2n |
| Residual factor for all reflections |
0.1918 |
| Residual factor for significantly intense reflections |
0.0786 |
| Weighted residual factors for significantly intense reflections |
0.1657 |
| Weighted residual factors for all reflections included in the refinement |
0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| 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/7246451.html
