Information card for entry 7251775

Structure parameters

• Formula: C37 H38 Cl N O4 S3
• Calculated formula: C37 H38 Cl N O4 S3
• 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: 10.571 ± 0.0004 Å
• b: 14.5162 ± 0.0004 Å
• c: 22.7243 ± 0.0009 Å
• α: 90°
• β: 101.071 ± 0.001°
• γ: 90°
• Cell volume: 3422.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No