Information card for entry 7243572

Structure parameters

• Chemical name: Ethyl (2R,3aR,4S,5S)-4-acetyl-2-(4-nitrophenyl)-6-oxohexahydro-2,5-methanobenzo[d][1,3]dioxole-4-carboxylate
• 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 ų
• 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