Information card for entry 7251772

Structure parameters

• Formula: C36 H36 Cl N O4 S2 Se
• Calculated formula: C36 H36 Cl N O4 S2 Se
• 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: 10.2587 ± 0.0003 Å
• b: 14.3099 ± 0.0003 Å
• c: 22.3142 ± 0.0005 Å
• α: 90°
• β: 99.898 ± 0.002°
• γ: 90°
• Cell volume: 3226.99 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No