Information card for entry 7133168

Structure parameters

• Common name: Chen-20220829
• Formula: C7 H6 O2
• Calculated formula: C7 H6 O2
• Title of publication: Crystal Structure Optimization of Copper Oxides for Benzyl Alcohol Oxidation Reaction
• Authors of publication: Sun, Hainan; Li, Lili; Chen, Yahui; Kim, Yong Beom; Kim, Hyunseung; Fei, Liangshuang; Shao, Zongping; Jung, WooChul
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 5.502 ± 0.003 Å
• b: 5.137 ± 0.003 Å
• c: 21.927 ± 0.015 Å
• α: 90°
• β: 97.045 ± 0.016°
• γ: 90°
• Cell volume: 615.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.213
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No