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Information card for entry 7116455
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Coordinates | 7116455.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (+/-)-9-Iodo-1,2,3,4,5,6,7,8-octahydro-1,4;5,8-anti-dimethanoanthracene |
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Formula | C16 H17 I |
Calculated formula | C16 H17 I |
SMILES | Ic1c2[C@@H]3CC[C@H](c2cc2[C@H]4CC[C@@H](c12)C4)C3.Ic1c2[C@H]3CC[C@@H](c2cc2[C@@H]4CC[C@H](c12)C4)C3 |
Title of publication | Asymmetric Kita spirolactonisation catalysed by anti-dimethanoanthracene-based iodoarenes |
Authors of publication | Stephen J. Murray; Hasim Ibrahim |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 2376 |
a | 10.6651 ± 0.0012 Å |
b | 14.1041 ± 0.0016 Å |
c | 17.531 ± 0.002 Å |
α | 90° |
β | 101.441 ± 0.002° |
γ | 90° |
Cell volume | 2584.6 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0364 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0697 |
Weighted residual factors for all reflections included in the refinement | 0.0721 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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