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Information card for entry 7221183
Preview
| Coordinates | 7221183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H7 N3 O3 |
|---|---|
| Calculated formula | C9 H7 N3 O3 |
| SMILES | n1nc(oc1c1ccccc1)CN(=O)=O |
| Title of publication | On-water, Catalyst-Free and Room-temperature Construction of 2-Aryl-1,3,4-oxadiazole Derivatives from 1,1-Dichloro-2-nitroethene and Hydrazides |
| Authors of publication | Zhu, Fengjuan; Zou, Minming; Shao, Xusheng; Li, Z. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 6.0311 ± 0.0009 Å |
| b | 8.0981 ± 0.0013 Å |
| c | 9.9218 ± 0.0016 Å |
| α | 90.914 ± 0.003° |
| β | 93.41 ± 0.003° |
| γ | 109.261 ± 0.003° |
| Cell volume | 456.33 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 144574 (current) | 2015-07-11 | cif/ Adding structures of 7221183 via cif-deposit CGI script. |
7221183.cif |
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Users of the data should acknowledge the original authors of the
structural data.