Information card for entry 7251773

Structure parameters

• Formula: C31 H34 I N O4 S2
• Calculated formula: C31 H34 I N O4 S2
• 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: 8.8033 ± 0.0005 Å
• b: 10.9603 ± 0.0005 Å
• c: 16.191 ± 0.0009 Å
• α: 71.565 ± 0.002°
• β: 84.701 ± 0.002°
• γ: 85.036 ± 0.002°
• Cell volume: 1473 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No