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Information card for entry 4027089
Preview
| Coordinates | 4027089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N O4 S |
|---|---|
| Calculated formula | C22 H19 N O4 S |
| Title of publication | Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation |
| Authors of publication | Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 2911 - 2923 |
| a | 5.9669 ± 0.0002 Å |
| b | 8.5395 ± 0.0003 Å |
| c | 36.8188 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1876.08 ± 0.11 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.1562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178449 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70. |
4027089.cif |
| 81157 | 2013-04-14 | cif/ Adding structures of 4027089 via cif-deposit CGI script. |
4027089.cif |
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Users of the data should acknowledge the original authors of the
structural data.