Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054427
Preview
Coordinates | 7054427.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H88 O9 S2 |
---|---|
Calculated formula | C61.7767 H71.3607 O8.66667 S2 |
Title of publication | Synthesis of a cone-conformer bimodal calix[4]arene-crown-5 which forms a sensitive cesium ion sensing layer on gold-coated microcantilevers |
Authors of publication | Valluru, Gopikishore; Rahman, Shofiur; Georghiou, Paris E.; Dawe, Louise N.; Alodhayb, Abdullah N.; Beaulieu, Luc Y. |
Journal of publication | New J. Chem. |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 12 |
Pages of publication | 5868 |
a | 21.9907 ± 0.0009 Å |
b | 27.7429 ± 0.0014 Å |
c | 29.1299 ± 0.0012 Å |
α | 90° |
β | 95.471 ± 0.003° |
γ | 90° |
Cell volume | 17690.8 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 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 | 0.2306 |
Residual factor for significantly intense reflections | 0.1519 |
Weighted residual factors for significantly intense reflections | 0.398 |
Weighted residual factors for all reflections included in the refinement | 0.4584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.595 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7054427.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.