Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4134001
Preview
Coordinates | 4134001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H16 O2 |
---|---|
Calculated formula | C12 H16 O2 |
SMILES | C1(=O)[C@H]2[C@H]3CCC=CCC[C@@H]3[C@H]2CO1.C1(=O)[C@@H]2[C@@H]3CCC=CCC[C@H]3[C@@H]2CO1 |
Title of publication | A Polymer with "Locked" Degradability: Superior Backbone Stability and Accessible Degradability Enabled by Mechanophore Installation. |
Authors of publication | Hsu, Tze-Gang; Zhou, Junfeng; Su, Hsin-Wei; Schrage, Briana R.; Ziegler, Christopher J.; Wang, Junpeng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 14.8465 ± 0.0007 Å |
b | 5.1669 ± 0.0003 Å |
c | 12.7295 ± 0.0006 Å |
α | 90° |
β | 94.446 ± 0.003° |
γ | 90° |
Cell volume | 973.55 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0554 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0977 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134001.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.