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Information card for entry 2237753
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| Coordinates | 2237753.cif |
|---|---|
| Structure factors | 2237753.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1''-benzyl-1'-methyl-2''-oxodispiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate |
|---|---|
| Formula | C36 H30 N4 O3 |
| Calculated formula | C36 H30 N4 O3 |
| SMILES | c12ccccc1nc1c([C@]3(c4c1cccc4)[C@@]1(C(=O)N(c4c1cccc4)Cc1ccccc1)N(C[C@H]3C(=O)OCC)C)n2.c12ccccc1nc1c([C@@]3(c4c1cccc4)[C@]1(C(=O)N(c4c1cccc4)Cc1ccccc1)N(C[C@@H]3C(=O)OCC)C)n2 |
| Title of publication | Ethyl 1''-benzyl-1'-methyl-2''-oxodispiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate |
| Authors of publication | Kannan, Piskala Subburaman; Lanka, Srinu; Thennarasu, Sathiah; Govindan, Elumalai; SubbiahPandi, Arunachalathevar |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o822 |
| a | 11.1927 ± 0.0002 Å |
| b | 11.4535 ± 0.0003 Å |
| c | 12.1206 ± 0.0003 Å |
| α | 87.637 ± 0.002° |
| β | 86.048 ± 0.001° |
| γ | 70.564 ± 0.002° |
| Cell volume | 1461.5 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (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 2/23/77. |
2237753.cif 2237753.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. |
2237753.cif 2237753.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. |
2237753.cif 2237753.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237753.cif 2237753.hkl |
| 86414 | 2013-07-11 | cif/ Adding structures of 2237753 via cif-deposit CGI script. |
2237753.cif |
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