Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547175
Preview
Coordinates | 1547175.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 O6 |
---|---|
Calculated formula | C14 H14 O6 |
SMILES | O1C(=O)[C@@H]2C3C4[C@@H](C(=O)OC(=O)[C@@H]4CC[C@H]3C1=O)CC2 |
Title of publication | Colorless polyimides derived from 2R, 5R, 7S, 10S-naphthanetetracarboxylic dianhydride |
Authors of publication | Hu, Xiaofan; Yan, Jingling; Wang, Yongxia; Mu, Hongliang; wang, zikun; Cheng, Haiyang; Zhao, Fengyu; Wang, Zhen |
Journal of publication | Polym. Chem. |
Year of publication | 2017 |
a | 10.7247 ± 0.0011 Å |
b | 7.7401 ± 0.0008 Å |
c | 14.5763 ± 0.0016 Å |
α | 90° |
β | 102.544 ± 0.002° |
γ | 90° |
Cell volume | 1181.1 ± 0.2 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 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 | 0.1136 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.1661 |
Weighted residual factors for all reflections included in the refinement | 0.2413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
200881 (current) | 2017-09-14 | cif/ Adding structures of 1547175 via cif-deposit CGI script. |
1547175.cif |
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.