Information card for entry 1576118

Structure parameters

• Formula: C10 H14 O
• Calculated formula: C10 H14 O
• Title of publication: Temperature-Dependent Reaction Rates of Quinone-Alkene Cycloaddition Reveal that Only Entropy Determines the Rate of SPOCQ Reactions
• Authors of publication: Damen, Johannes A.M.; Escorihuela, Jorge; Firet, Judith; Zuilhof, Han; Albada, Bauke
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.34904 ± 0.00009 Å
• b: 8.21004 ± 0.00007 Å
• c: 22.159 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1700.84 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No