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Information card for entry 7213339
Preview
Coordinates | 7213339.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H24 Br N O2 |
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Calculated formula | C20 H24 Br N O2 |
SMILES | BrC1=CC[C@@H]2CN([C@H]1C2)C(=O)O[C@H]1[C@@H](CCCC1)c1ccccc1 |
Title of publication | π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates |
Authors of publication | Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2000 |
Journal issue | 14 |
Pages of publication | 2175 |
a | 9.591 ± 0.002 Å |
b | 12.8947 ± 0.0009 Å |
c | 14.871 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1839.1 ± 0.5 Å3 |
Cell temperature | 193.2 K |
Ambient diffraction temperature | 193.2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0205 |
Residual factor for significantly intense reflections | 0.0198 |
Weighted residual factors for all reflections | 0.0266 |
Weighted residual factors for all reflections included in the refinement | 0.0264 |
Goodness-of-fit parameter for all reflections | 1.163 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7213339.html
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