Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7202177
Preview
Coordinates | 7202177.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H35 N O4 |
---|---|
Calculated formula | C32 H35 N O4 |
SMILES | c1ccc(c2c1c1ccccc1C2)C(=O)[O-].c1(ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH3+].OCCCC.c1ccc(c2c1c1ccccc1C2)C(=O)[O-].c1(ccccc1)[C@H](O)[C@@H](c1ccccc1)[NH3+].OCCCC |
Title of publication | Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid |
Authors of publication | Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio |
Journal of publication | CrystEngComm |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 8 |
Pages of publication | 951 |
a | 16.495 ± 0.0013 Å |
b | 6.2388 ± 0.0005 Å |
c | 26.4 ± 0.002 Å |
α | 90° |
β | 104.201 ± 0.001° |
γ | 90° |
Cell volume | 2633.8 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0885 |
Residual factor for significantly intense reflections | 0.0692 |
Weighted residual factors for significantly intense reflections | 0.1487 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7202177.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.