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Information card for entry 8106965
Preview
| Coordinates | 8106965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H15 N O2 S |
|---|---|
| Calculated formula | C11 H15 N O2 S |
| Title of publication | Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2 |
| Authors of publication | Li, Guo Qiang; Meng, Jiang Ping; Zhou, Xia; Wang, Qing; Xu, Qiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 647 - 648 |
| a | 13.6316 ± 0.0005 Å |
| b | 5.7462 ± 0.0002 Å |
| c | 14.1562 ± 0.0005 Å |
| α | 90° |
| β | 91.758 ± 0.004° |
| γ | 90° |
| Cell volume | 1108.33 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282016 (current) | 2023-03-23 | cif/ Adding structures of 8106965 via cif-deposit CGI script. |
8106965.cif |
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Users of the data should acknowledge the original authors of the
structural data.