Information card for entry 7131009

Structure parameters

• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• Title of publication: Iron/photoredox dual catalysis for acyl nitrene-based C–O bond formation towards phthalides
• Authors of publication: Zhang, Zhide; Deng, Yangling; Hou, Ming; Lai, Xiaojing; Guan, Meng; Zhang, Fengzhi; Qi, Rui; Qiu, Guanyinsheng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.6676 ± 0.001 Å
• b: 7.8965 ± 0.0008 Å
• c: 12.2576 ± 0.001 Å
• α: 90°
• β: 95.669 ± 0.008°
• γ: 90°
• Cell volume: 931.17 ± 0.16 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: 0.0885
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No