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Information card for entry 7243571
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Coordinates | 7243571.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Ethyl (1R,2S,6S)-1-acetyl-2-hydroxy-6-(2-(naphthalen-2-yl)-2-oxoethyl)-5-oxocyclohex-3-ene-1-carboxylate |
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Formula | C115 H110 O30 |
Calculated formula | C92 H86 O24 |
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 | 7.6292 ± 0.0015 Å |
b | 18.955 ± 0.004 Å |
c | 27.164 ± 0.005 Å |
α | 90° |
β | 91.56 ± 0.03° |
γ | 90° |
Cell volume | 3926.8 ± 1.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2201 |
Residual factor for significantly intense reflections | 0.1254 |
Weighted residual factors for significantly intense reflections | 0.2485 |
Weighted residual factors for all reflections included in the refinement | 0.2908 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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