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Information card for entry 1549405
Preview
Coordinates | 1549405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H17 N O3 |
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Calculated formula | C17 H17 N O3 |
SMILES | O=C(OC)N1c2ccccc2C[C@@H]1c1cc(OC)ccc1 |
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 | 7.731 ± 0.0003 Å |
b | 8.2071 ± 0.0003 Å |
c | 11.5044 ± 0.0004 Å |
α | 90° |
β | 107.779 ± 0.0011° |
γ | 90° |
Cell volume | 695.08 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0267 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0691 |
Weighted residual factors for all reflections included in the refinement | 0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/1549405.html
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Users of the data should acknowledge the original authors of the
structural data.