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Information card for entry 2240357
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| Coordinates | 2240357.cif |
|---|---|
| Structure factors | 2240357.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone |
|---|---|
| Formula | C22 H17 N O3 S |
| Calculated formula | C22 H17 N O3 S |
| SMILES | c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)C(=O)c1ccccc1)C |
| Title of publication | Crystal structure of [2-methyl-1-(phenylsulfonyl)-1<i>H</i>-indol-3-yl](phenyl)methanone |
| Authors of publication | Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 133 - 135 |
| a | 8.9989 ± 0.0007 Å |
| b | 11.0036 ± 0.0009 Å |
| c | 18.4209 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1824 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240357.cif 2240357.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240357.cif 2240357.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240357.cif 2240357.hkl |
| 129349 | 2015-01-04 | cif/ hkl/ Adding structures of 2240357 via cif-deposit CGI script. |
2240357.cif 2240357.hkl |
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Users of the data should acknowledge the original authors of the
structural data.