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Information card for entry 2239411
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| Coordinates | 2239411.cif |
|---|---|
| Structure factors | 2239411.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 3'-benzyl-4'-(2,4-dichlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate |
|---|---|
| Formula | C28 H24 N2 O7 S |
| Calculated formula | C28 H24 N2 O7 S |
| SMILES | c12ccccc1c1c(c(c(cc1n2S(=O)(=O)c1ccccc1)c1cc(c(cc1N(=O)=O)OC)OC)C)OC |
| Title of publication | 2-(4,5-Dimethoxy-2-nitrophenyl)-4-methoxy-3-methyl-9-phenylsulfonyl-9<i>H</i>-carbazole |
| Authors of publication | Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o336 - o337 |
| a | 8.4543 ± 0.0003 Å |
| b | 13.6605 ± 0.0005 Å |
| c | 21.6359 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2498.73 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239411.cif 2239411.hkl |
| 181313 | 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 2/23/94. |
2239411.cif 2239411.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. |
2239411.cif 2239411.hkl |
| 110694 | 2014-04-19 | cif/ hkl/ Adding structures of 2239411 via cif-deposit CGI script. |
2239411.cif 2239411.hkl |
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Users of the data should acknowledge the original authors of the
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