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Information card for entry 2240650
Preview
| Coordinates | 2240650.cif |
|---|---|
| Structure factors | 2240650.hkl |
| Original IUCr paper | HTML |
| Common name | [2-(Triethylammonio)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]amide tetrahydrate |
|---|---|
| Chemical name | [2-(Triethylazaniumyl)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]azanide tetrahydrate |
| Formula | C23 H50 N2 O6 S |
| Calculated formula | C23 H50 N2 O6 S |
| Title of publication | Crystal structure of [2-(triethylammonio)ethyl][(2,4,6-triisopropylphenyl)sulfonyl]amide tetrahydrate |
| Authors of publication | Golz, C.; Strohmann, C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | 564 - 566 |
| a | 6.6797 ± 0.0004 Å |
| b | 8.7345 ± 0.0005 Å |
| c | 23.3973 ± 0.0014 Å |
| α | 96.579 ± 0.005° |
| β | 93.734 ± 0.005° |
| γ | 95.57 ± 0.005° |
| Cell volume | 1345.68 ± 0.14 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240650.cif 2240650.hkl |
| 136440 | 2015-05-13 | cif/ hkl/ Adding structures of 2240650 via cif-deposit CGI script. |
2240650.cif 2240650.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.