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Information card for entry 1559445
Preview
| Coordinates | 1559445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane |
|---|---|
| Formula | C14 H14 N4 |
| Calculated formula | C14 H14 N4 |
| SMILES | N#CC1(C#N)C(C#N)(C#N)C(C)(C)C1C=C(C)C |
| Title of publication | Structure, Conformation, and Dynamics of 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane as Detected by X-Ray and Multinuclear NMR Analyses |
| Authors of publication | Aksnes, Dagfinn W.; Brekke, Trond; Maartmann-Moe, Knut |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 138 - 144 |
| a | 7.47 ± 0.002 Å |
| b | 11.446 ± 0.002 Å |
| c | 30.862 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2638.8 ± 0.9 Å3 |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| 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 |
|---|---|---|---|
| 258680 (current) | 2020-11-03 | cif/ Adding structures of 1559445 via cif-deposit CGI script. |
1559445.cif |
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