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Information card for entry 1518397
Preview
| Coordinates | 1518397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-3a toluene solvate |
|---|---|
| Chemical name | racemic 4'-ethyl 5'-methyl(3R,4'S,5'R)-1-acetyl-5-fluoro-2'-(4-methyoxyphenyl)-2-oxo- 4',5'-dihydrospiro[indoline-3,3'-pyrrole]-4',5'-dicarboxylate |
| Formula | C32 H31 F N2 O7 |
| Calculated formula | C32 H31 F N2 O7 |
| Title of publication | Titanium(IV)-catalyzed stereoselective synthesis of spirooxindole-1-pyrrolines. |
| Authors of publication | Badillo, Joseph J.; Ribeiro, Carlos J. A.; Olmstead, Marilyn M.; Franz, Annaliese K. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 6270 - 6273 |
| a | 8.7859 ± 0.0002 Å |
| b | 12.7763 ± 0.0004 Å |
| c | 13.096 ± 0.0003 Å |
| α | 81.6796 ± 0.0009° |
| β | 76.9516 ± 0.0008° |
| γ | 86.6732 ± 0.0008° |
| Cell volume | 1416.52 ± 0.06 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518397.cif |
| 131531 | 2015-02-08 | cif/ Updating files of 1518396, 1518397, 1518398 Original log message: Adding full bibliography for 1518396--1518398.cif. |
1518397.cif |
| 128471 | 2014-12-07 | cif/ Adding structures of 1518396, 1518397, 1518398 via cif-deposit CGI script. |
1518397.cif |
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Users of the data should acknowledge the original authors of the
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