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Information card for entry 7243572
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Coordinates | 7243572.cif |
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Original paper (by DOI) | HTML |
Chemical name | Ethyl (2R,3aR,4S,5S)-4-acetyl-2-(4-nitrophenyl)-6-oxohexahydro-2,5-methanobenzo[d][1,3]dioxole-4-carboxylate |
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Formula | C19 H19 N O8 |
Calculated formula | C19 H19 N O8 |
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 | 7.9677 ± 0.0016 Å |
b | 8.9993 ± 0.0018 Å |
c | 24.879 ± 0.005 Å |
α | 90° |
β | 98.37 ± 0.03° |
γ | 90° |
Cell volume | 1764.9 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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269251 (current) | 2021-09-23 | cif/ Adding structures of 7243570, 7243571, 7243572 via cif-deposit CGI script. |
7243572.cif |
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Users of the data should acknowledge the original authors of the
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