Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552477
Preview
Coordinates | 1552477.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H58 O14 |
---|---|
Calculated formula | C51 H58 O14 |
SMILES | c1(c2cc(c(c1)Cc1cc(OC)c(cc1OC)Cc1c(OC)cc(Cc3c(OC)cc(Cc4c(OC)cc(C2)c(OC)c4)c(OC)c3)c(OC)c1)OCC(=O)OCC)OCC(=O)OCC |
Title of publication | High compression strength single network hydrogels with pillar[5]arene junction points |
Authors of publication | Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard |
Journal of publication | Materials Horizons |
Year of publication | 2020 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 566 - 573 |
a | 9.6444 ± 0.0003 Å |
b | 12.2441 ± 0.0003 Å |
c | 19.4216 ± 0.0004 Å |
α | 93.6475 ± 0.0017° |
β | 99.9526 ± 0.0019° |
γ | 92.348 ± 0.002° |
Cell volume | 2251.2 ± 0.1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation probe | x-ray |
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/1552477.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.