Information card for entry 7132809

Structure parameters

• Formula: C20 H22 O2
• Calculated formula: C20 H22 O2
• Title of publication: Organocatalytic enantioselective desymmetrization of enal-tethered cyclohexane-1,3-diones.
• Authors of publication: Magham, Lakshmi Revati; Samad, Abdus; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3834 - 3837
• a: 8.546 ± 0.004 Å
• b: 6.518 ± 0.003 Å
• c: 15.6 ± 0.008 Å
• α: 90°
• β: 105.428 ± 0.009°
• γ: 90°
• Cell volume: 837.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0702
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No