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Information card for entry 1555128
Preview
Coordinates | 1555128.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H17 Br Cl N O4 S |
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Calculated formula | C14 H17 Br Cl N O4 S |
SMILES | Br[C@H]([C@@H]1N(S(=O)(=O)c2ccc(cc2)C)C(=O)OCC1)CCCl |
Title of publication | Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex. |
Authors of publication | Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 16 |
Pages of publication | 3956 - 3959 |
a | 9.24 ± 0.005 Å |
b | 6.262 ± 0.003 Å |
c | 14.504 ± 0.008 Å |
α | 90° |
β | 91.561 ± 0.009° |
γ | 90° |
Cell volume | 838.9 ± 0.8 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0285 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0647 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555128.html
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