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Information card for entry 7224525
Preview
| Coordinates | 7224525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O2 |
|---|---|
| Calculated formula | C19 H17 N O2 |
| SMILES | o1c(cc2[C@@H]3C[C@H]([C@]4(C(=O)N(c5c4cccc5)C)c12)C=C3)C.o1c(cc2[C@H]3C[C@@H]([C@@]4(C(=O)N(c5c4cccc5)C)c12)C=C3)C |
| Title of publication | Mg(ClO4)2-Promoted [4 + 3] Cycloaddition of Oxindole Derivatives with Conjugated Dienes: Concise Synthesis of Spirocycloheptane Oxindole Derivatives |
| Authors of publication | Liu, Yun; Sun, Zhou; Li, Song; Xiang, Kuirong; Zhang, Yuan; Li, Ying |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 16.9806 ± 0.0005 Å |
| b | 8.6168 ± 0.0002 Å |
| c | 20.4475 ± 0.0006 Å |
| α | 90° |
| β | 98.426 ± 0.003° |
| γ | 90° |
| Cell volume | 2959.55 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.068 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1709 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177657 (current) | 2016-03-05 | cif/ Adding structures of 7224525 via cif-deposit CGI script. |
7224525.cif |
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Users of the data should acknowledge the original authors of the
structural data.