Information card for entry 7128010

Structure parameters

• Formula: C34 H27 N O3 S
• Calculated formula: C34 H27 N O3 S
• SMILES: s1cccc1C1=C([C@@]23OC4=C([C@@H]([C@@]3(O1)CC2)c1ccccc1)CN(C4=O)Cc1ccccc1)c1ccccc1.s1cccc1C1=C([C@]23OC4=C([C@H]([C@]3(O1)CC2)c1ccccc1)CN(C4=O)Cc1ccccc1)c1ccccc1
• Title of publication: A silver-catalyzed domino inverse electron-demand oxo-Diels-Alder reaction of 3-cyclopropylideneprop-2-en-1-ones with 2,3-dioxopyrrolidines via cyclobutane-fused furan.
• Authors of publication: Zhang, Yanshun; Wei, Yin; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 29
• Pages of publication: 3599 - 3602
• a: 10.5667 ± 0.0004 Å
• b: 10.7003 ± 0.0005 Å
• c: 13.9406 ± 0.0006 Å
• α: 69.301 ± 0.001°
• β: 88.131 ± 0.001°
• γ: 67.251 ± 0.001°
• Cell volume: 1349.84 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No