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Information card for entry 1550819
Preview
| Coordinates | 1550819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H19 N O4 |
|---|---|
| Calculated formula | C21 H19 N O4 |
| SMILES | O=C1N(C)c2ccccc2[C@@]21C[C@@]2(C(=O)OCC)C(=O)c1ccccc1.O=C1N(C)c2ccccc2[C@]21C[C@]2(C(=O)OCC)C(=O)c1ccccc1 |
| Title of publication | Diastereodivergent synthesis of cyclopropanes via on-water [2 + 1] annulations of diazo compounds with electron-deficient alkenes |
| Authors of publication | Li, Qing-Zhu; Zhang, Xiang; Xie, Ke; Dai, Qing-Song; Zeng, Rong; Liu, Yan-Qing; Jia, Zhi-Qiang; Feng, Xin; Li, Jun-Long |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 9 |
| Pages of publication | 2375 |
| a | 7.5364 ± 0.0003 Å |
| b | 20.5621 ± 0.0011 Å |
| c | 11.4782 ± 0.0005 Å |
| α | 90° |
| β | 94.877 ± 0.004° |
| γ | 90° |
| Cell volume | 1772.27 ± 0.14 Å3 |
| Cell temperature | 295.3 ± 0.4 K |
| Ambient diffraction temperature | 295.3 ± 0.4 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1550819.cif |
| 224625 | 2019-11-08 | cif/ Updating files of 1550819, 1550820 Original log message: Adding full bibliography for 1550819--1550820.cif. |
1550819.cif |
| 214421 | 2019-03-30 | cif/ Adding structures of 1550819, 1550820 via cif-deposit CGI script. |
1550819.cif |
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