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Information card for entry 1556912
Preview
| Coordinates | 1556912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 N3 O2 |
|---|---|
| Calculated formula | C22 H25 N3 O2 |
| SMILES | N#Cc1ccc(cc1)N1CCC[C@@H](N1C(=O)OC(C)(C)C)c1ccccc1 |
| Title of publication | Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality. |
| Authors of publication | Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 1636 - 1642 |
| a | 12.4713 ± 0.00005 Å |
| b | 9.02632 ± 0.00004 Å |
| c | 17.84198 ± 0.00007 Å |
| α | 90° |
| β | 92.8702 ± 0.0004° |
| γ | 90° |
| Cell volume | 2005.95 ± 0.014 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250231 (current) | 2020-04-05 | cif/ Updating files of 1556907, 1556908, 1556909, 1556910, 1556911, 1556912, 1556913, 1556914, 1556915 Original log message: Adding full bibliography for 1556907--1556915.cif. |
1556912.cif |
| 248884 | 2020-03-05 | cif/ Updating files of 1556907, 1556908, 1556909, 1556910, 1556911, 1556912, 1556913, 1556914, 1556915 Original log message: Adding full bibliography for 1556907--1556915.cif. |
1556912.cif |
| 246455 | 2020-01-03 | cif/ Adding structures of 1556907, 1556908, 1556909, 1556910, 1556911, 1556912, 1556913, 1556914, 1556915 via cif-deposit CGI script. |
1556912.cif |
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Users of the data should acknowledge the original authors of the
structural data.