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Information card for entry 2239336
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| Coordinates | 2239336.cif |
|---|---|
| Structure factors | 2239336.hkl |
| Original paper (by DOI) | HTML |
| Common name | Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate |
|---|---|
| Formula | C27 H28 N2 O4 |
| Calculated formula | C27 H28 N2 O4 |
| SMILES | O[C@@H](c1c2c(ccc1)cccc2)[C@@]1([C@]2(N(CC1)C)c1c(N(C2=O)CC)cccc1)C(=O)OC.O[C@H](c1c2c(ccc1)cccc2)[C@]1([C@@]2(N(CC1)C)c1c(N(C2=O)CC)cccc1)C(=O)OC |
| Title of publication | Methyl 1-ethyl-3'-[hydroxy(naphthalen-1-yl)methyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate |
| Authors of publication | Vijayakumar, Vinodhkumar; Peters, Gunther H.; Suresh, M.; Raghavachary, Raghunathan; Jagadeesan, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o540 |
| a | 16.7802 ± 0.0003 Å |
| b | 14.669 ± 0.0003 Å |
| c | 18.4735 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4547.23 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| 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 |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239336.cif 2239336.hkl |
| 181312 | 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 2/23/93. |
2239336.cif 2239336.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. |
2239336.cif 2239336.hkl |
| 109464 | 2014-04-13 | cif/ hkl/ Adding structures of 2239336 via cif-deposit CGI script. |
2239336.cif 2239336.hkl |
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Users of the data should acknowledge the original authors of the
structural data.