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Information card for entry 7232918
Preview
| Coordinates | 7232918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H24 Cl2 N2 O3 |
|---|---|
| Calculated formula | C16 H24 Cl2 N2 O3 |
| Title of publication | A 3,4-dihalo-2(5H)-furanone initiated ring-opening reaction of DABCO in the absence of a metal catalyst and additive and its application in a one-pot two-step reaction |
| Authors of publication | Wu, Han-Qing; Yang, Kai; Chen, Xiao-Yun; Arulkumar, Mani; Wang, Neng; Chen, Si-Hong; Wang, Zhao-Yang |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 14 |
| Pages of publication | 3782 |
| a | 11.1568 ± 0.0015 Å |
| b | 17.163 ± 0.002 Å |
| c | 9.1319 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1748.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1346 |
| Residual factor for significantly intense reflections | 0.0613 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| 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 |
|---|---|---|---|
| 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. |
7232918.cif |
| 224620 | 2019-11-08 | cif/ Updating files of 7232918 Original log message: Adding full bibliography for 7232918.cif. |
7232918.cif |
| 216092 | 2019-06-19 | cif/ Adding structures of 7232918 via cif-deposit CGI script. |
7232918.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.