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Information card for entry 7239311
Preview
| Coordinates | 7239311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 N0.33 O0.33 |
|---|---|
| Calculated formula | C8 H7 N0.333333 O0.333333 |
| Title of publication | Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides |
| Authors of publication | Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 47 |
| Pages of publication | 25103 |
| a | 8.744 ± 0.0002 Å |
| b | 16.3482 ± 0.0003 Å |
| c | 13.175 ± 0.0003 Å |
| α | 90° |
| β | 96.694 ± 0.001° |
| γ | 90° |
| Cell volume | 1870.51 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244647 (current) | 2019-11-28 | cif/ Adding structures of 7239310, 7239311, 7239312, 7239313 via cif-deposit CGI script. |
7239311.cif |
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Users of the data should acknowledge the original authors of the
structural data.