Information card for entry 1508882

Structure parameters

• Formula: C24 H19 N O5 S
• Calculated formula: C24 H19 N O5 S
• SMILES: c1ccc(C(=O)[C@H]2[C@@H](C(COC(=O)/C=C/c3ccccc3)=N(O2)=O)c2ccccc2)s1
• Title of publication: Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.
• Authors of publication: An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 542 - 545
• a: 5.737 ± 0.002 Å
• b: 8.686 ± 0.003 Å
• c: 10.931 ± 0.004 Å
• α: 83.072 ± 0.006°
• β: 79.957 ± 0.007°
• γ: 75.074 ± 0.007°
• Cell volume: 516.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No