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Information card for entry 2241490
Preview
| Coordinates | 2241490.cif |
|---|---|
| Structure factors | 2241490.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate |
|---|---|
| Formula | C26 H25 N O6 S |
| Calculated formula | C26 H25 N O6 S |
| Title of publication | Crystal structure of methyl (2<i>Z</i>)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methoxyphenyl)prop-2-enoate |
| Authors of publication | Trigunait, Ankur; Damodharan, Kannan; Manickam, Bakthadoss; Krishnasamy, Gunasekaran |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1088 - o1089 |
| a | 8.3501 ± 0.0002 Å |
| b | 8.4859 ± 0.0002 Å |
| c | 17.6814 ± 0.0004 Å |
| α | 84.424 ± 0.001° |
| β | 80.952 ± 0.001° |
| γ | 80.954 ± 0.001° |
| Cell volume | 1218.52 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1227 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241490.cif 2241490.hkl |
| 181915 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241490.cif 2241490.hkl |
| 174741 | 2016-01-22 | cif/ hkl/ Adding structures of 2241490 via cif-deposit CGI script. |
2241490.cif 2241490.hkl |
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Users of the data should acknowledge the original authors of the
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