Information card for entry 7156157

Structure parameters

• Formula: C27 H40 O5
• Calculated formula: C27 H40 O5
• Title of publication: Metal-free α-alkylation of alcohols with para-quinone methides.
• Authors of publication: Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 2762 - 2767
• a: 10.94 ± 0.004 Å
• b: 23.899 ± 0.008 Å
• c: 10.129 ± 0.003 Å
• α: 90°
• β: 96.474 ± 0.006°
• γ: 90°
• Cell volume: 2631.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No