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Information card for entry 1548401
Preview
| Coordinates | 1548401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H29 Cl N2 O4 S |
|---|---|
| Calculated formula | C32 H29 Cl N2 O4 S |
| Title of publication | Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones |
| Authors of publication | Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou |
| Journal of publication | Nature Communications |
| Year of publication | 2017 |
| Journal volume | 8 |
| Pages of publication | 1619 |
| a | 8.9464 ± 0.0009 Å |
| b | 16.7038 ± 0.0015 Å |
| c | 19.5947 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2928.2 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.1283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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 |
|---|---|---|---|
| 204076 (current) | 2017-12-08 | cif/ Adding structures of 1548401 via cif-deposit CGI script. |
1548401.cif |
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Users of the data should acknowledge the original authors of the
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