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Information card for entry 4131293
Preview
Coordinates | 4131293.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H23 N O4 |
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Calculated formula | C23 H23 N O4 |
SMILES | O=C1OCC[C@]23[C@H](N(c4c2cccc4)C(=O)OC(C)(C)C)[C@@]13c1ccccc1 |
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 | 10.286 ± 0.003 Å |
b | 10.706 ± 0.002 Å |
c | 11.1417 ± 0.0004 Å |
α | 66.363 ± 0.018° |
β | 64.94 ± 0.02° |
γ | 88.2 ± 0.03° |
Cell volume | 1003.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0261 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0583 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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