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Information card for entry 4517425
Preview
Coordinates | 4517425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 N O2 |
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Calculated formula | C13 H15 N O2 |
SMILES | C1CCC[C@H]2[C@](C(=O)N12)(c1ccccc1)O |
Title of publication | C‒C Cleavage Approach to C‒H Functionalization of Saturated Aza-Cycles |
Authors of publication | Roque, Jose B.; Kuroda, Yusuke; Jurczyk, Justin; Xu, Li-Ping; Ham, Jin Su; Göttemann, Lucas T.; Roberts, Charis A.; Adpressa, Donovon; Saurí, Josep; Joyce, Leo A.; Musaev, Djamaladdin G.; Yeung, Charles S.; Sarpong, Richmond |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 2929 - 2941 |
a | 7.97537 ± 0.00005 Å |
b | 7.97537 ± 0.00005 Å |
c | 34.7796 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2212.21 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0272 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4517425.html
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