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Information card for entry 7155950
Preview
| Coordinates | 7155950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 N O |
|---|---|
| Calculated formula | C27 H25 N O |
| SMILES | N1(C(=O)C(C2=C(c3c1cccc3)c1c(CC2)cccc1)(Cc1ccccc1)C)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 | 13.379 ± 0.005 Å |
| b | 9.939 ± 0.003 Å |
| c | 15.142 ± 0.005 Å |
| α | 90° |
| β | 91.1 ± 0.008° |
| γ | 90° |
| Cell volume | 2013.1 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
7155950.cif |
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Users of the data should acknowledge the original authors of the
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