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Information card for entry 1503313
Preview
| Coordinates | 1503313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H16 N2 O4 S2 |
|---|---|
| Calculated formula | C8 H16 N2 O4 S2 |
| Title of publication | Vicinal-diamine-based chiral chain dienes as ligands for rhodium(I)-catalyzed highly enantioselective conjugated additions. |
| Authors of publication | Wang, Yazhou; Hu, Xichao; Du, Haifeng |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 23 |
| Pages of publication | 5482 - 5485 |
| a | 8.089 ± 0.003 Å |
| b | 9.221 ± 0.004 Å |
| c | 9.805 ± 0.004 Å |
| α | 70.49 ± 0.03° |
| β | 68.96 ± 0.02° |
| γ | 73.73 ± 0.03° |
| Cell volume | 632.6 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2442 |
| Weighted residual factors for all reflections included in the refinement | 0.2712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503313.cif |
| 176729 | 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. |
1503313.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503313.cif |
| 37188 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503313 via cif-deposit CGI script. |
1503313.cif |
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Users of the data should acknowledge the original authors of the
structural data.