Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204190
Preview
Coordinates | 7204190.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C168 H243 O31 P6 |
---|---|
Calculated formula | C168 H243 O31 P6 |
Title of publication | Synthesis, characterisation and extraction behaviour of calix[4]arene-based phosphonic acidsElectronic supplementary information (ESI) available: Tables S1‒S3 and Figs. S1 and S2. See http://www.rsc.org/suppdata/p2/b1/b105489a/ |
Authors of publication | Jurečka, Petr; Vojtíšek, Pavel; Novotný, Karel; Rohovec, Jan; Lukeš, Ivan |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1370 |
a | 18.856 ± 0.001 Å |
b | 20.962 ± 0.001 Å |
c | 23.912 ± 0.001 Å |
α | 71.093 ± 0.004° |
β | 75.343 ± 0.004° |
γ | 88.723 ± 0.004° |
Cell volume | 8632.1 ± 0.8 Å3 |
Cell temperature | 180 ± 1 K |
Ambient diffraction temperature | 180 ± 1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1961 |
Residual factor for significantly intense reflections | 0.1305 |
Weighted residual factors for significantly intense reflections | 0.375 |
Weighted residual factors for all reflections included in the refinement | 0.4005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7204190.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.