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Information card for entry 1549407
Preview
Coordinates | 1549407.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H14 Cl N O2 |
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Calculated formula | C16 H14 Cl N O2 |
SMILES | Clc1c([C@@H]2N(C(=O)OC)c3ccccc3C2)cccc1 |
Title of publication | Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds. |
Authors of publication | Wen, Xin; Wang, Yong; Zhang, X. Peter |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 22 |
Pages of publication | 5082 - 5086 |
a | 5.0463 ± 0.0003 Å |
b | 10.357 ± 0.0005 Å |
c | 13.2269 ± 0.0007 Å |
α | 90° |
β | 92.007 ± 0.002° |
γ | 90° |
Cell volume | 690.87 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0231 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0634 |
Weighted residual factors for all reflections included in the refinement | 0.0635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 1.54178 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/1549407.html
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