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Information card for entry 1548604
Preview
| Coordinates | 1548604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 N2 O7 |
|---|---|
| Calculated formula | C12 N2 O7 |
| Title of publication | Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations |
| Authors of publication | Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang |
| Journal of publication | Scientific Reports |
| Year of publication | 2013 |
| Journal volume | 3 |
| Pages of publication | 1058 |
| a | 19.957 ± 0.004 Å |
| b | 9.858 ± 0.002 Å |
| c | 15.78 ± 0.003 Å |
| α | 90° |
| β | 99.02 ± 0.03° |
| γ | 90° |
| Cell volume | 3066.1 ± 1.1 Å3 |
| Ambient diffraction temperature | 173 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 | 0.0941 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.2161 |
| Weighted residual factors for all reflections included in the refinement | 0.222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204751 (current) | 2018-01-05 | cif/ Adding structures of 1548604 via cif-deposit CGI script. |
1548604.cif |
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Users of the data should acknowledge the original authors of the
structural data.