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Information card for entry 4083180
Preview
| Coordinates | 4083180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H28 N4 O2 |
|---|---|
| Calculated formula | C12 H28 N4 O2 |
| SMILES | O(O)C(N=NC(C)C)(C)C.N(=C(C)C)NC(C)C |
| Title of publication | Reactions of Grignard Reagents with Nitrous Oxide |
| Authors of publication | Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2405 |
| a | 8.3803 ± 0.0006 Å |
| b | 10.3708 ± 0.0006 Å |
| c | 11.0004 ± 0.0003 Å |
| α | 115.652 ± 0.004° |
| β | 99.615 ± 0.004° |
| γ | 101.009 ± 0.006° |
| Cell volume | 811.58 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083180.cif |
| 178720 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31. |
4083180.cif |
| 115875 | 2014-06-05 | cif/ Updating files of 4083179, 4083180, 4083181 Original log message: Adding full bibliography for 4083179--4083181.cif. |
4083180.cif |
| 113040 | 2014-05-08 | cif/ Adding structures of 4083179, 4083180, 4083181 via cif-deposit CGI script. |
4083180.cif |
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Users of the data should acknowledge the original authors of the
structural data.