Information card for entry 7135509

Structure parameters

• Chemical name: XM-2
• Formula: C39 H37 N O4 S2
• Calculated formula: C39 H37 N O4 S2
• Title of publication: EnT-catalysis-enabled, radical-relay cascade cyclization to access multisubstituted cyclohexane/cyclohexene.
• Authors of publication: Xiang, Mei; Huang, Cong; Gao, Jie; Chen, Kai; Xie, Zhen-Zhen; Yang, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1941 - 1944
• a: 11.1879 ± 0.0006 Å
• b: 12.0483 ± 0.0006 Å
• c: 16.967 ± 0.0008 Å
• α: 109.2 ± 0.001°
• β: 98.081 ± 0.001°
• γ: 104.655 ± 0.001°
• Cell volume: 2025.94 ± 0.18 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No