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Information card for entry 2237451
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| Coordinates | 2237451.cif |
|---|---|
| Structure factors | 2237451.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate |
|---|---|
| Formula | C26 H22 N2 O4 |
| Calculated formula | C26 H22 N2 O4 |
| SMILES | CN1C[C@@H]([C@]2([C@]31C(=O)c1cccc4c1c3ccc4)C(=O)N(c1c2cccc1)C)C(=O)OC.CN1C[C@H]([C@@]2([C@@]31C(=O)c1cccc4c1c3ccc4)C(=O)N(c1c2cccc1)C)C(=O)OC |
| Title of publication | A diastereomer of methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate |
| Authors of publication | Ganesh, Gnanavelu; Yuvaraj, PanneerSelvam; Kannan, Piskala Subburaman; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o441 |
| a | 27.2997 ± 0.0015 Å |
| b | 9.7923 ± 0.0006 Å |
| c | 15.8557 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4238.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (current) | 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 2/23/74. |
2237451.cif 2237451.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. |
2237451.cif 2237451.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237451.cif 2237451.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237451.cif 2237451.hkl |
| 78731 | 2013-04-02 | cif/ Adding structures of 2237451 via cif-deposit CGI script. |
2237451.cif |
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Users of the data should acknowledge the original authors of the
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