Information card for entry 7250474

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• Title of publication: Supported manganese catalysts achieve highly efficient C–H bond oxidation and olefin epoxidation
• Authors of publication: Chen, Yirui; Cheng, Yuqi; Tong, Wanting; Wu, Hangtao; Zhao, Chuhan; Song, Dingguo; Ling, Fei; Zhong, Weihui
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 25
• Pages of publication: 7717 - 7727
• a: 5.926 ± 0.0003 Å
• b: 11.6332 ± 0.0006 Å
• c: 19.3715 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.44 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No