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Information card for entry 4132712
Preview
Coordinates | 4132712.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H35 N O3 |
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Calculated formula | C26 H35 N O3 |
SMILES | [C@@H]12[C@@]([C@@H]3[C@H]([C@H]4CC/C([C@]4(CC3)C)=N\O)CC2)(CC[C@@H](OC(=O)c2ccccc2)C1)C |
Title of publication | Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds. |
Authors of publication | Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 30 |
Pages of publication | 9678 - 9684 |
a | 6.1268 ± 0.0002 Å |
b | 13.2115 ± 0.0005 Å |
c | 14.7663 ± 0.0005 Å |
α | 90° |
β | 101.86 ± 0.004° |
γ | 90° |
Cell volume | 1169.73 ± 0.07 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.04 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0867 |
Weighted residual factors for all reflections included in the refinement | 0.0908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4132712.html
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Users of the data should acknowledge the original authors of the
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