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Information card for entry 2239574
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| Coordinates | 2239574.cif |
|---|---|
| Structure factors | 2239574.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>tert</i>-Butyl <i>N</i>-[2-(<i>N</i>-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamat |
|---|---|
| Formula | C18 H30 N2 O5 S |
| Calculated formula | C18 H30 N2 O5 S |
| SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CCNC(=O)OC(C)(C)C |
| Title of publication | <i>tert</i>-Butyl <i>N</i>-[2-(<i>N</i>-isobutyl-4-methoxybenzenesulfonamido)ethyl]carbamate |
| Authors of publication | Bai, Xiao-Guang; Wang, Ju-Xian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o674 |
| a | 19.2484 ± 0.0005 Å |
| b | 5.29088 ± 0.00012 Å |
| c | 20.1825 ± 0.0006 Å |
| α | 90° |
| β | 92.497 ± 0.003° |
| γ | 90° |
| Cell volume | 2053.45 ± 0.09 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239574.cif 2239574.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239574.cif 2239574.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239574.cif 2239574.hkl |
| 113951 | 2014-05-18 | cif/ hkl/ Adding structures of 2239574 via cif-deposit CGI script. |
2239574.cif 2239574.hkl |
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