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Information card for entry 1502527
Preview
| Coordinates | 1502527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (S)-5-chloro-1-methyl-3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)-indolin-2-one |
|---|---|
| Formula | C14 H13 Cl N2 O2 |
| Calculated formula | C14 H13 Cl N2 O2 |
| SMILES | Clc1cc2[C@](c3cccn3C)(C(=O)N(c2cc1)C)O |
| Title of publication | Enantioselective and regioselective indium(III)-catalyzed addition of pyrroles to isatins. |
| Authors of publication | Gutierrez, Elisa G.; Wong, Casey J.; Sahin, Aziza H.; Franz, Annaliese K. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 5754 - 5757 |
| a | 5.296 ± 0.002 Å |
| b | 12.43 ± 0.005 Å |
| c | 20.001 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1316.7 ± 0.9 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1502527.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502527.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502527.cif |
| 35820 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502527 via cif-deposit CGI script. |
1502527.cif |
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Users of the data should acknowledge the original authors of the
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