Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7240228
Preview
| Coordinates | 7240228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cadavarine adipate;Pentane-1,5-diamine adipate |
|---|---|
| Chemical name | 1,5-Diaminopentane adipate |
| Formula | C11 H28 N2 O6 |
| Calculated formula | C11 H28 N2 O6 |
| Title of publication | Crystal structure, Thermodynamics, and Crystallization of Bio-based Polyamide 56 salt |
| Authors of publication | Yang, Pengpeng; Peng, Xiaoqiang; Wang, Sen; Li, Dong; Li, Ming; Jiao, Pengfei; Zhuang, Wei; Wu, Jianglan; Wen, Qingshi; Ying, Hanjie |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 20.435 ± 0.002 Å |
| b | 4.6351 ± 0.0006 Å |
| c | 17.7856 ± 0.0019 Å |
| α | 90° |
| β | 116.068 ± 0.003° |
| γ | 90° |
| Cell volume | 1513.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249831 (current) | 2020-03-29 | cif/ Adding structures of 7240228 via cif-deposit CGI script. |
7240228.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.