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Information card for entry 4110244
Preview
| Coordinates | 4110244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 N2 O4 S2 |
|---|---|
| Calculated formula | C28 H24 N2 O4 S2 |
| SMILES | c12ccccc1[C@@H]1[C@@H](c3ccccc3N1S(=O)(=O)c1ccc(cc1)C)N2S(=O)(=O)c1ccc(cc1)C.c12ccccc1[C@H]1[C@H](c3ccccc3N1S(=O)(=O)c1ccc(cc1)C)N2S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Advancing Palladium-Catalyzed C-N Bond Formation: Bisindoline Construction from Successive Amide Transfer to Internal Alkenes |
| Authors of publication | Kilian Muñiz |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 14542 - 14543 |
| a | 8.838 ± 0.0002 Å |
| b | 11.013 ± 0.0004 Å |
| c | 27.049 ± 0.0009 Å |
| α | 90° |
| β | 108.654 ± 0.002° |
| γ | 90° |
| Cell volume | 2494.45 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0812 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178873 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02. |
4110244.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110244.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110244.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110244.cif |
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Users of the data should acknowledge the original authors of the
structural data.