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Information card for entry 1545800
Preview
| Coordinates | 1545800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H28 N4 O7 S2 |
|---|---|
| Calculated formula | C15 H28 N4 O7 S2 |
| Title of publication | Brønsted acidic ionic liquid-catalyzed dehydrative formation of isosorbide from sorbitol: introduction of a continuous process |
| Authors of publication | Deng, Jie; Xu, Bao-Hua; Wang, Yao-Feng; Mo, Xian-En; Zhang, Rui; Li, You; Zhang, Suo-Jiang |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2017 |
| a | 7.8403 ± 0.0002 Å |
| b | 12.7512 ± 0.0003 Å |
| c | 10.5247 ± 0.0002 Å |
| α | 90° |
| β | 91.486 ± 0.002° |
| γ | 90° |
| Cell volume | 1051.83 ± 0.04 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195733 (current) | 2017-04-25 | cif/ Adding structures of 1545800 via cif-deposit CGI script. |
1545800.cif |
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