Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1502718
Preview
Coordinates | 1502718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98.7 H140 O96.95 |
---|---|
Calculated formula | C98.69 H140 O96.96 |
Title of publication | Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. |
Authors of publication | Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2010 |
Journal volume | 114 |
Journal issue | 35 |
Pages of publication | 11489 - 11495 |
a | 15.419 ± 0.004 Å |
b | 15.464 ± 0.005 Å |
c | 15.612 ± 0.004 Å |
α | 102.72 ± 0.014° |
β | 102.012 ± 0.012° |
γ | 104.309 ± 0.015° |
Cell volume | 3380.1 ± 1.7 Å3 |
Cell temperature | 200 ± 1 K |
Ambient diffraction temperature | 200 ± 1 K |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1466 |
Residual factor for significantly intense reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.1986 |
Weighted residual factors for all reflections included in the refinement | 0.2506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/1502718.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.