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Information card for entry 1504781
Preview
| Coordinates | 1504781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (6aR,12aS,12bR)-5-(tert-Butyldimethylsilyloxy)-1,2,3,4,6,6a- hexahydrotetraphene-7,12(12aH,12bH)-dione |
|---|---|
| Formula | C24 H32 O3 Si |
| Calculated formula | C24 H32 O3 Si |
| Title of publication | Highly enantioselective [4 + 2] cycloaddition reactions catalyzed by a chiral N-methyl-oxazaborolidinium cation. |
| Authors of publication | Canales, Eda; Corey, E. J. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 15 |
| Pages of publication | 3271 - 3273 |
| a | 10.896 ± 0.0003 Å |
| b | 8.1258 ± 0.0002 Å |
| c | 25.6367 ± 0.0008 Å |
| α | 90° |
| β | 94.007 ± 0.002° |
| γ | 90° |
| Cell volume | 2264.29 ± 0.11 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| 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. |
1504781.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. |
1504781.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504781.cif |
| 42358 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504781 via cif-deposit CGI script. |
1504781.cif |
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