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Information card for entry 7112231
Preview
| Coordinates | 7112231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H25 N O |
|---|---|
| Calculated formula | C33 H25 N O |
| SMILES | n1c(C2(CC2)C2OC(=C\c3ccccc3)/c3c2cccc3)c2ccccc2cc1c1ccccc1 |
| Title of publication | A silver(I) triflate-catalyzed reaction of 1-((cyclopropylidenemethyl)-2-alkynyl)arene with 2-alkynylbenzaldoxime |
| Authors of publication | Jie Sheng; Congbin Fan; Yechun Ding; Xiaona Fan; Jie Wu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4188 |
| a | 9.595 ± 0.004 Å |
| b | 11.379 ± 0.005 Å |
| c | 12.774 ± 0.006 Å |
| α | 81.149 ± 0.007° |
| β | 72.684 ± 0.007° |
| γ | 67.299 ± 0.007° |
| Cell volume | 1227.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1544 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.75 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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