Information card for entry 7202062
Formula |
C36 H34 N O6 P |
Calculated formula |
C36 H34 N O6 P |
SMILES |
c12c(ccc3ccccc13)OP(=O)(Oc1c2c2ccccc2cc1)[O-].c1(ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH3+].OCC |
Title of publication |
Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol |
Authors of publication |
Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio |
Journal of publication |
CrystEngComm |
Year of publication |
2008 |
Journal volume |
10 |
Journal issue |
8 |
Pages of publication |
947 |
a |
8.6165 ± 0.0004 Å |
b |
14.8416 ± 0.0007 Å |
c |
24.394 ± 0.0012 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3119.6 ± 0.3 Å3 |
Cell temperature |
130 ± 2 K |
Ambient diffraction temperature |
130 ± 2 K |
Number of distinct elements |
5 |
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 |
0.0476 |
Residual factor for significantly intense reflections |
0.0433 |
Weighted residual factors for significantly intense reflections |
0.0991 |
Weighted residual factors for all reflections included in the refinement |
0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
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/7202062.html