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Information card for entry 7235482
Preview
| Coordinates | 7235482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H18 Cl N O S |
|---|---|
| Calculated formula | C16 H18 Cl N O S |
| Title of publication | Stereoselective synthesis of α-(dichloromethyl)-amines, α-(chloromethyl)amines, and α-chloro-aziridines |
| Authors of publication | Li, Desheng; Li, Ya; Chen, Zhiqiu; Shang, Huaqi; Li, Hongsen; Ren, Xinfeng |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 27 |
| Pages of publication | 14254 |
| a | 6.6951 ± 0.0009 Å |
| b | 7.9252 ± 0.0011 Å |
| c | 29.888 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1585.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0704 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
7235482.cif |
| 233066 | 2019-11-23 | cif/ Adding structures of 7235482 via cif-deposit CGI script. |
7235482.cif |
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Users of the data should acknowledge the original authors of the
structural data.