Information card for entry 1574802

Structure parameters

• Formula: C29 H40 O4
• Calculated formula: C29 H40 O4
• Title of publication: Single-carbon-atom transfer to <i>para</i>-quinone methides from TMSCF₂Br.
• Authors of publication: Sun, Ruikang; Zhang, Pei; Yan, Yong; Zhu, Jie; Chen, Qirui; Yang, Chi; Lin, Aijun; Li, Xuanyi; Gao, Shang; Yao, Hequan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 12324 - 12331
• a: 10.6394 ± 0.0006 Å
• b: 10.7112 ± 0.0006 Å
• c: 23.9695 ± 0.0013 Å
• α: 90.188 ± 0.002°
• β: 102.38 ± 0.002°
• γ: 104.147 ± 0.002°
• Cell volume: 2582.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No