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Information card for entry 1550820
Preview
| Coordinates | 1550820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 N3 O3 |
|---|---|
| Calculated formula | C24 H19 N3 O3 |
| SMILES | O=C(OCC)[C@]1([C@@]2(c3c(N(C2=O)C)cccc3)C1)C(=C(C#N)C#N)c1ccccc1.O=C(OCC)[C@@]1([C@]2(c3c(N(C2=O)C)cccc3)C1)C(=C(C#N)C#N)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 | 13.6825 ± 0.001 Å |
| b | 10.7919 ± 0.0005 Å |
| c | 14.7575 ± 0.0012 Å |
| α | 90° |
| β | 108.476 ± 0.008° |
| γ | 90° |
| Cell volume | 2066.8 ± 0.3 Å3 |
| Cell temperature | 293.06 ± 0.1 K |
| Ambient diffraction temperature | 293.06 ± 0.1 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1951 |
| Weighted residual factors for all reflections included in the refinement | 0.215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1550820.cif |
| 224625 | 2019-11-08 | cif/ Updating files of 1550819, 1550820 Original log message: Adding full bibliography for 1550819--1550820.cif. |
1550820.cif |
| 214421 | 2019-03-30 | cif/ Adding structures of 1550819, 1550820 via cif-deposit CGI script. |
1550820.cif |
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