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Information card for entry 1557119
Preview
| Coordinates | 1557119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H16 F8 |
|---|---|
| Calculated formula | C32 H16 F8 |
| SMILES | Fc1cc(C2=C3C(=C(CC2)c2cc(F)cc(F)c2)C(=C3c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc(F)c1 |
| Title of publication | A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes. |
| Authors of publication | Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B. |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 2051 - 2057 |
| a | 10.7497 ± 0.0005 Å |
| b | 11.175 ± 0.0004 Å |
| c | 11.5688 ± 0.0003 Å |
| α | 96.962 ± 0.002° |
| β | 96.945 ± 0.003° |
| γ | 116.711 ± 0.004° |
| Cell volume | 1207.93 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250220 (current) | 2020-04-05 | cif/ Updating files of 1557116, 1557117, 1557118, 1557119, 1557120, 1557121, 1557122 Original log message: Adding full bibliography for 1557116--1557122.cif. |
1557119.cif |
| 248870 | 2020-03-05 | cif/ Updating files of 1557116, 1557117, 1557118, 1557119, 1557120, 1557121, 1557122 Original log message: Adding full bibliography for 1557116--1557122.cif. |
1557119.cif |
| 247104 | 2020-01-23 | cif/ Adding structures of 1557116, 1557117, 1557118, 1557119, 1557120, 1557121, 1557122 via cif-deposit CGI script. |
1557119.cif |
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Users of the data should acknowledge the original authors of the
structural data.