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Information card for entry 4517012
Preview
| Coordinates | 4517012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 N2 O5 S |
|---|---|
| Calculated formula | C16 H20 N2 O5 S |
| Title of publication | Benzimidazolines Convert Sulfur Dioxide to Bisulfate at Room Temperature and Atmospheric Pressure Utilizing Aerial Oxygen |
| Authors of publication | Mehrotra, Sonam; Raje, Sakthi; Jain, Anant Kumar; Angamuthu, Raja |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | 6322 |
| a | 6.7039 ± 0.0012 Å |
| b | 10.6697 ± 0.0018 Å |
| c | 22.602 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1616.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.1008 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239694 (current) | 2019-11-24 | cif/ Adding structures of 4517012 via cif-deposit CGI script. |
4517012.cif |
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