Information card for entry 7251770

Structure parameters

• Formula: C24 H27 N O2 S
• Calculated formula: C24 H27 N O2 S
• Title of publication: Diastereoselective Construction of Complex Spiroheterocycles via γ-C(sp³)–H Functionalization of 1,1-Disubstituted Cyclohexanes with Diverse Bifunctional Reagents
• Authors of publication: Mutra, Mohana Reddy; Chandana, T. L.; Chen, Hsing-Yin; Wang, Yun-Jou; Wang, Jeh-Jeng
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 12.2241 ± 0.0014 Å
• b: 15.1783 ± 0.0019 Å
• c: 23.332 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4329 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No