Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115479
Preview
Coordinates | 7115479.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C105 H127 F16 N11 O10 P2 |
---|---|
Calculated formula | C104.998 H126.997 F16 N10.999 O10 P2 |
Title of publication | Formation of a hetero[3]rotaxane by a dynamic component-swapping strategy |
Authors of publication | Eleanor A. Wilson; Nicolaas A. Vermeulen; Paul R. McGonigal; Alyssa-Jennifer Avestro; Amy A. Sarjeant; Charlotte L. Stern; J. Fraser Stoddart |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9665 |
a | 17.5877 ± 0.0008 Å |
b | 18.0515 ± 0.0009 Å |
c | 19.1109 ± 0.0009 Å |
α | 73.981 ± 0.002° |
β | 64.138 ± 0.002° |
γ | 88.09 ± 0.002° |
Cell volume | 5221.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1035 |
Residual factor for significantly intense reflections | 0.0922 |
Weighted residual factors for significantly intense reflections | 0.2575 |
Weighted residual factors for all reflections included in the refinement | 0.2715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7115479.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.