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Information card for entry 7243570
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Coordinates | 7243570.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ethyl (1S,2S,6S)-1-acetyl-2-hydroxy-5-oxo-6-(2-oxo-2-phenylethyl)cyclohex-3-ene-1-carboxylate |
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Formula | C19 H20 O6 |
Calculated formula | C19 H20 O6 |
Title of publication | Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis |
Authors of publication | Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 50 |
Pages of publication | 31395 - 31399 |
a | 21.521 ± 0.004 Å |
b | 11.299 ± 0.002 Å |
c | 6.774 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1647.2 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0623 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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