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Information card for entry 2240753
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| Coordinates | 2240753.cif |
|---|---|
| Structure factors | 2240753.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>p</i>-Toluenesulfonylmethyl isocyanide |
|---|---|
| Formula | C9 H9 N O2 S |
| Calculated formula | C9 H9 N O2 S |
| Title of publication | Crystal structure of <i>p</i>-toluenesulfonylmethyl isocyanide |
| Authors of publication | Bano, Huma; Yousuf, Sammer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o412 |
| a | 22.342 ± 0.005 Å |
| b | 8.881 ± 0.002 Å |
| c | 4.8462 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 961.6 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240753.cif 2240753.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240753.cif 2240753.hkl |
| 137014 | 2015-05-20 | cif/ hkl/ Adding structures of 2240753 via cif-deposit CGI script. |
2240753.cif 2240753.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.