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Information card for entry 1559500
Preview
| Coordinates | 1559500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl-cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide |
|---|---|
| Formula | C22 H18 Br2 O2 S |
| Calculated formula | C22 Br2 O2 S |
| Title of publication | Further Examples of Tandem Dimerization Ring-Opening of Substituted 3-Bromothiophene 1,1-Dioxides. Preparation of Trisubstituted Benzenes. X-Ray Structure Determination of 3,5-Dibromo-7,7a-dimethyl-2,4-diphenyl- cis-3a,7a-dihydrobenzo[b]thiophene 1,1-Dioxide |
| Authors of publication | Gronowitz, Salo; Nikitidis, Grigorios; Hallberg, Anders; Stalhandske, Claes |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 636 - 643 |
| a | 10.613 ± 0.003 Å |
| b | 18.46 ± 0.004 Å |
| c | 11.438 ± 0.002 Å |
| α | 90° |
| β | 112.49 ± 0.02° |
| γ | 90° |
| Cell volume | 2070.5 ± 0.9 Å3 |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259109 (current) | 2020-11-12 | cif/ Adding structures of 1559500 via cif-deposit CGI script. |
1559500.cif |
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