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Information card for entry 1562367
Preview
| Coordinates | 1562367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12 N2 |
|---|---|
| Calculated formula | C5 H12 N2 |
| Title of publication | Homopiperazine (Hexahydro-1,4-diazepine) |
| Authors of publication | Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z. |
| Journal of publication | Molbank |
| Year of publication | 2021 |
| Journal volume | 2021 |
| Journal issue | 2 |
| Pages of publication | M1200 |
| a | 7.208 ± 0.002 Å |
| b | 7.208 ± 0.002 Å |
| c | 23.094 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1199.9 ± 0.6 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264976 (current) | 2021-05-06 | cif/ Adding structures of 1562367 via cif-deposit CGI script. |
1562367.cif |
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Users of the data should acknowledge the original authors of the
structural data.