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Information card for entry 2230099
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| Coordinates | 2230099.cif |
|---|---|
| Structure factors | 2230099.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone |
|---|---|
| Formula | C22 H17 N O3 S |
| Calculated formula | C22 H17 N O3 S |
| SMILES | c1cccc2c1c(c(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1)C |
| Title of publication | Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone |
| Authors of publication | Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1242 |
| a | 22.812 ± 0.0007 Å |
| b | 10.5199 ± 0.0004 Å |
| c | 16.1346 ± 0.0006 Å |
| α | 90° |
| β | 103.926 ± 0.001° |
| γ | 90° |
| Cell volume | 3758.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230099.cif 2230099.hkl |
| 181222 | 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 2/23/00. |
2230099.cif 2230099.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. |
2230099.cif 2230099.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230099.cif 2230099.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230099.cif 2230099.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230099.cif 2230099.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230099.cif 2230099.hkl |
| 20169 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230099 via cif-deposit CGI script. |
2230099.cif |
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Users of the data should acknowledge the original authors of the
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