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Information card for entry 7234509
Preview
| Coordinates | 7234509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H20 N2 O4 |
|---|---|
| Calculated formula | C9 H20 N2 O4 |
| Title of publication | Thermodynamics, Crystal structure, and Characterization of Bio-based Nylon 54 monomer. |
| Authors of publication | Yang, Pengpeng; Li, Xiaojie; Liu, Haodong; Li, Zihan; Liu, Jun; Zhuang, Wei; Wu, Jianglan; Ying, Hanjie |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| a | 10.6508 ± 0.0009 Å |
| b | 14.5943 ± 0.0013 Å |
| c | 7.9248 ± 0.0006 Å |
| α | 90° |
| β | 107.384 ± 0.003° |
| γ | 90° |
| Cell volume | 1175.57 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219230 (current) | 2019-10-10 | cif/ Adding structures of 7234509 via cif-deposit CGI script. |
7234509.cif |
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Users of the data should acknowledge the original authors of the
structural data.