Information card for entry 1576348

Structure parameters

• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• Title of publication: Organo-catalyzed photoelectrochemical ring-contraction of arylidenecyclobutanols via radical cation-triggered semipinacol rearrangement
• Authors of publication: Zheng, Yu; Chen, Chunxi; Zhou, Xuhao; Deng, Guoyang; Lu, Yanju; Huang, Shenlin
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 12.2361 ± 0.0002 Å
• b: 5.83641 ± 0.00011 Å
• c: 13.4714 ± 0.0003 Å
• α: 90°
• β: 96.6635 ± 0.0017°
• γ: 90°
• Cell volume: 955.56 ± 0.03 ų
• Cell temperature: 298.41 ± 0.1 K
• Ambient diffraction temperature: 298.41 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No