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Information card for entry 4032631
Preview
Coordinates | 4032631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H26 Cu F6 N2 O8 S2 |
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Calculated formula | C18 H26 Cu F6 N2 O8 S2 |
Title of publication | Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds. |
Authors of publication | Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 7887 - 7904 |
a | 7.7369 ± 0.0004 Å |
b | 12.5096 ± 0.0006 Å |
c | 13.5497 ± 0.0005 Å |
α | 100.056 ± 0.003° |
β | 95.648 ± 0.004° |
γ | 100.226 ± 0.004° |
Cell volume | 1259.37 ± 0.1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0748 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1231 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4032631.html
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