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Information card for entry 7151031
Preview
| Coordinates | 7151031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C37 H41 N O6 S |
|---|---|
| Calculated formula | C37 H41 N O6 S |
| SMILES | S(=O)(=O)(N1CC2=C(C(=C(C(=O)OC(C)(C)C)C[C@@H]2C1)C(=O)OC(C)(C)C)c1c(c2ccccc2)cccc1)c1ccc(cc1)C |
| Title of publication | Highly diastereo- and enantioselective construction of both central and axial chiralities by Rh-catalyzed [2 + 2 + 2] cycloaddition |
| Authors of publication | Shibata, Takanori; Otomo, Mayumi; Tahara, Yu-ki; Endo, Kohei |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 23 |
| Pages of publication | 4296 - 4298 |
| a | 11.0147 ± 0.0003 Å |
| b | 10.932 ± 0.0003 Å |
| c | 14.7938 ± 0.0004 Å |
| α | 90° |
| β | 97.4949 ± 0.0015° |
| γ | 90° |
| Cell volume | 1766.14 ± 0.08 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151031.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151031.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151031.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151031.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7151031.cif |
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Users of the data should acknowledge the original authors of the
structural data.