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Information card for entry 4121576
Preview
Coordinates | 4121576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H10 N2 O3 |
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Calculated formula | C10 H10 N2 O3 |
SMILES | O=C1N(C(=O)CC1)c1cnccc1OC |
Title of publication | A mild, ferrocene-catalyzed C-h imidation of (hetero)arenes. |
Authors of publication | Foo, Klement; Sella, Eran; Thomé, Isabelle; Eastgate, Martin D.; Baran, Phil S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 14 |
Pages of publication | 5279 - 5282 |
a | 20.687 ± 0.002 Å |
b | 6.4683 ± 0.0008 Å |
c | 15.9083 ± 0.0019 Å |
α | 90° |
β | 116.05 ± 0.003° |
γ | 90° |
Cell volume | 1912.4 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.1026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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