Information card for entry 1575826

Structure parameters

• Formula: C21 H16 O2
• Calculated formula: C21 H16 O2
• Title of publication: Chiral benzo[2.2.1] α-hydroxyketones from a dirhodium(ii)/bisphosphine-catalyzed desymmetrization addition reaction.
• Authors of publication: Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19397 - 19402
• a: 10.13513 ± 0.00012 Å
• b: 6.32967 ± 0.00009 Å
• c: 12.14214 ± 0.00015 Å
• α: 90°
• β: 105.726 ± 0.0013°
• γ: 90°
• Cell volume: 749.788 ± 0.017 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No