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Information card for entry 2237364
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| Coordinates | 2237364.cif |
|---|---|
| Structure factors | 2237364.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-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 | O=C1[C@@]2(N(C)C[C@@H]([C@]32C(=O)N(c2c3cccc2)C)C(=O)OC)c2c3c1cccc3ccc2.O=C1[C@]2(N(C)C[C@H]([C@@]32C(=O)N(c2c3cccc2)C)C(=O)OC)c2c3c1cccc3ccc2 |
| Title of publication | <i>rac</i>-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, G.; Yuvaraj, Panneer Selvam; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o235 |
| a | 15.4839 ± 0.0004 Å |
| b | 9.5832 ± 0.0002 Å |
| c | 15.6375 ± 0.0004 Å |
| α | 90° |
| β | 115.184 ± 0.001° |
| γ | 90° |
| Cell volume | 2099.81 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (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 2/23/73. |
2237364.cif 2237364.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. |
2237364.cif 2237364.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. | 2237364.cif 2237364.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237364.cif 2237364.hkl |
| 75380 | 2013-03-09 | cif/ Adding structures of 2237364 via cif-deposit CGI script. |
2237364.cif |
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Users of the data should acknowledge the original authors of the
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