Information card for entry 4038431

Structure parameters

• Formula: C22 H18 O
• Calculated formula: C22 H18 O
• Title of publication: Evidence Against Single-Electron Transfer in the Additions of Most Organomagnesium Reagents to Carbonyl Compounds.
• Authors of publication: Bartolo, Nicole D.; Woerpel, K. A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 28.371 ± 0.002 Å
• b: 28.371 ± 0.002 Å
• c: 7.9856 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6427.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No