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Information card for entry 7235904
Preview
| Coordinates | 7235904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H14 N2 O |
|---|---|
| Calculated formula | C16 H14 N2 O |
| Title of publication | Synthesis of polysubstituted 4-aminopyrazoles and 4-hydroxypyrazoles from vinyl azides and hydrazines |
| Authors of publication | Huang, Wei; Liu, Shen; Chen, Binhui; Guo, Xiao; Yu, Yongping |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 41 |
| Pages of publication | 32740 |
| a | 13.1976 ± 0.0017 Å |
| b | 10.5014 ± 0.0008 Å |
| c | 9.8453 ± 0.0011 Å |
| α | 90° |
| β | 108.284 ± 0.014° |
| γ | 90° |
| Cell volume | 1295.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0769 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235904.cif |
| 233747 | 2019-11-23 | cif/ Adding structures of 7235904 via cif-deposit CGI script. |
7235904.cif |
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Users of the data should acknowledge the original authors of the
structural data.