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Information card for entry 4131290
Preview
Coordinates | 4131290.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H23 I N2 O2 |
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Calculated formula | C25 H23 I N2 O2 |
SMILES | Ic1c([C@H]2[C@]3([C@@H](N(C2=O)Cc2ccccc2)Nc2c3cccc2)CCO)cccc1 |
Title of publication | Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles. |
Authors of publication | Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 23 |
Pages of publication | 7697 - 7700 |
a | 8.04752 ± 0.00015 Å |
b | 8.79412 ± 0.00014 Å |
c | 15.1588 ± 0.0003 Å |
α | 90° |
β | 97.0754 ± 0.0017° |
γ | 90° |
Cell volume | 1064.63 ± 0.03 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113.15 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0359 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
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/4131290.html
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