Information card for entry 7246450
Formula |
C44 H44 N4 |
Calculated formula |
C44 H44 N4 |
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 |
10.825 ± 0.005 Å |
b |
18.151 ± 0.008 Å |
c |
9.211 ± 0.004 Å |
α |
90° |
β |
97.156 ± 0.008° |
γ |
90° |
Cell volume |
1795.7 ± 1.4 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.2119 |
Residual factor for significantly intense reflections |
0.0755 |
Weighted residual factors for significantly intense reflections |
0.1391 |
Weighted residual factors for all reflections included in the refinement |
0.1969 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
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/7246450.html