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Information card for entry 1567248
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| Coordinates | 1567248.cif |
|---|---|
| Structure factors | 1567248.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,7-Dihydro-5<i>H</i>-pyrrolo[1,2-<i>a</i>]imidazole |
|---|---|
| Formula | C6 H8 N2 |
| Calculated formula | C6 H8 N2 |
| Title of publication | 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole |
| Authors of publication | Morales-Collazo, Oscar; Lynch, Vincent M.; Brennecke, Joan F. |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 5 |
| Pages of publication | x200681 |
| a | 7.908 ± 0.007 Å |
| b | 7.441 ± 0.008 Å |
| c | 9.88 ± 0.009 Å |
| α | 90° |
| β | 104.91 ± 0.03° |
| γ | 90° |
| Cell volume | 561.8 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0519 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276715 (current) | 2022-07-07 | cif/ hkl/ Adding structures of 1567248 via cif-deposit CGI script. |
1567248.cif 1567248.hkl |
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Users of the data should acknowledge the original authors of the
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