Information card for entry 7063106

Structure parameters

• Formula: C20 H17 N O4 S
• Calculated formula: C20 H17 N O4 S
• SMILES: c12ccccc1C1(c3cc(C)ccc3C3=C1C(C)(C)OC3=O)NS2(=O)=O
• Title of publication: Rh(iii)-catalyzed sequential spiroannulation/lactonization of 3-aryl N-sulfonyl ketimines with 4-hydroxy-2-alkynoates by C–H bond activation
• Authors of publication: Prashanth, S.; Ajay, Chidrawar; Nagesh, Kommu; Sridhar, B.; Reddy, B. V. Subba
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 7646 - 7650
• a: 11.908 ± 0.002 Å
• b: 10.3611 ± 0.0019 Å
• c: 14.976 ± 0.002 Å
• α: 90°
• β: 97.885 ± 0.007°
• γ: 90°
• Cell volume: 1830.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No