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Information card for entry 7155951
Preview
| Coordinates | 7155951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H27 N O |
|---|---|
| Calculated formula | C32 H27 N O |
| SMILES | N1(C(=O)C(c2cccc(c12)C(=C1CC1)c1ccccc1)(Cc1ccccc1)c1ccccc1)C |
| Title of publication | Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts |
| Authors of publication | Shi, Min; Wei, Yin; Zhang, Xiao-Yu |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 9.1032 ± 0.0015 Å |
| b | 14.843 ± 0.002 Å |
| c | 19.069 ± 0.003 Å |
| α | 94.1 ± 0.004° |
| β | 101.55 ± 0.004° |
| γ | 104.178 ± 0.003° |
| Cell volume | 2427.7 ± 0.6 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1494 |
| Weighted residual factors for all reflections included in the refinement | 0.1722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202398 (current) | 2017-10-28 | cif/ Adding structures of 7155950, 7155951 via cif-deposit CGI script. |
7155951.cif |
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