Information card for entry 7135382

Structure parameters

• Formula: C29 H28 Cl3 N O8 S
• Calculated formula: C29 H28 Cl3 N O8 S
• Title of publication: Photochemical HAT-mediated site-selective C(sp³)-H aminoalkylation of cubanes catalyzed by TBADT.
• Authors of publication: Tang, Zhicheng; Liu, Mingyang; Yang, Xiuran; Zhong, Zhuang; Liu, Sensheng; Zhou, Haifeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 13
• Pages of publication: 4059 - 4062
• a: 10.9319 ± 0.0002 Å
• b: 12.8338 ± 0.0002 Å
• c: 13.0162 ± 0.0002 Å
• α: 118.405 ± 0.002°
• β: 108.271 ± 0.002°
• γ: 94.015 ± 0.001°
• Cell volume: 1471.87 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No