Information card for entry 1504518
Formula |
C38 H36 N2 O5 |
Calculated formula |
C38 H36 N2 O5 |
SMILES |
c1(c(ccc2ccccc12)C(=O)[O-])c1c(ccc2ccccc12)C(=O)[O-].c1(ccccc1)[C@@H]([NH3+])[C@@H](c1ccccc1)[NH3+].OCC |
Title of publication |
Tuning mechanism in a two-component columnar host system composed of 1,2-diphenylethylenediamine and 1,1'-binaphthyl-2,2'-dicarboxylic acid. |
Authors of publication |
Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio |
Journal of publication |
Organic letters |
Year of publication |
2008 |
Journal volume |
10 |
Journal issue |
3 |
Pages of publication |
469 - 471 |
a |
10.204 ± 0.001 Å |
b |
10.835 ± 0.001 Å |
c |
27.774 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3070.7 ± 0.5 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.1169 |
Residual factor for significantly intense reflections |
0.0671 |
Weighted residual factors for significantly intense reflections |
0.1287 |
Weighted residual factors for all reflections included in the refinement |
0.1547 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
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/1504518.html