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Information card for entry 4038849
Preview
| Coordinates | 4038849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 N2 O |
|---|---|
| Calculated formula | C13 H12 N2 O |
| Title of publication | Hydrosilane-Assisted Synthesis of Urea Derivatives from CO<sub>2</sub> and Amines. |
| Authors of publication | Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 9.11 ± 0.0008 Å |
| b | 10.547 ± 0.0009 Å |
| c | 11.7739 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1131.27 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1211 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256896 (current) | 2020-10-02 | cif/ Adding structures of 4038849 via cif-deposit CGI script. |
4038849.cif |
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Users of the data should acknowledge the original authors of the
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