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Information card for entry 1558909
Preview
| Coordinates | 1558909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bicyclic guanidinium/nitronate salt |
|---|---|
| Formula | C14 H20 N4 O2 |
| Calculated formula | C14 H2 N4 O2 |
| SMILES | O=N(=O)Cc1ccccc1.N12CCCNC1NCCC2 |
| Title of publication | Nitroalkanes in C‒C Bond Forming Reactions: a Crystal Structure of a Complex of a Guanidine Catalyst and a Nitroalkane Substrate |
| Authors of publication | van Aken, Eddie; Wynberg, Hans; van Bolhuis, Fre |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 122 - 124 |
| a | 10.338 ± 0.002 Å |
| b | 10.627 ± 0.002 Å |
| c | 13.232 ± 0.003 Å |
| α | 90° |
| β | 93.95 ± 0.02° |
| γ | 90° |
| Cell volume | 1450.2 ± 0.5 Å3 |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255624 (current) | 2020-08-25 | cif/ Adding structures of 1558909 via cif-deposit CGI script. |
1558909.cif |
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