Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4133700
Preview
Coordinates | 4133700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 O8 |
---|---|
Calculated formula | C32 H32 O8 |
SMILES | C1(=O)C2(C=CC(C=C2)OC(=O)C2(C=CC(C=C2)OC(=O)C2(C=CC(C=C2)OC(=O)C2(C=CC(C=C2)O1)C)C)C)C |
Title of publication | Synthesis of Unzipping Polyester and a Study of its Photochemistry. |
Authors of publication | Joo, Wontae; Wang, Wade; Mesch, Ryan; Matsuzawa, Kensuke; Liu, Di; Willson, C. Grant |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 37 |
Pages of publication | 14736 - 14741 |
a | 16.2082 ± 0.0007 Å |
b | 16.2082 ± 0.0007 Å |
c | 5.791 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1521.33 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.157 |
Residual factor for significantly intense reflections | 0.111 |
Weighted residual factors for significantly intense reflections | 0.2121 |
Weighted residual factors for all reflections included in the refinement | 0.2314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
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/4133700.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.