Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4118238
Preview
Coordinates | 4118238.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C170 H186 F2 N32 O24 |
---|---|
Calculated formula | C170 H186 F2 N32 O24 |
Title of publication | Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes |
Authors of publication | Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 11415 - 11429 |
a | 26.5692 ± 0.0008 Å |
b | 18.3016 ± 0.0006 Å |
c | 20.3207 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9881.1 ± 0.5 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.1951 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation wavelength | 1.54184 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/4118238.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.