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Information card for entry 7232175
Preview
| Coordinates | 7232175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H31 N O3 |
|---|---|
| Calculated formula | C27 H31 N O3 |
| Title of publication | Metal-free synthesis of triarylated (Z)-nitrones via H2O-mediated 1,3-dipolar transfer under aerobic conditions |
| Authors of publication | Chen, Ke; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 3 |
| Pages of publication | 675 |
| a | 10.8693 ± 0.0008 Å |
| b | 19.0667 ± 0.0016 Å |
| c | 11.8343 ± 0.0009 Å |
| α | 90° |
| β | 102.11 ± 0.002° |
| γ | 90° |
| Cell volume | 2398 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0863 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232175.cif |
| 224638 | 2019-11-08 | cif/ Updating files of 7232175 Original log message: Adding full bibliography for 7232175.cif. |
7232175.cif |
| 213092 | 2019-01-16 | cif/ Adding structures of 7232175 via cif-deposit CGI script. |
7232175.cif |
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Users of the data should acknowledge the original authors of the
structural data.