Information card for entry 7134386

Structure parameters

• Chemical name: (4aR,4bR)-3,4a-dimethyl-4a,4b,5,6,7,8-hexahydrophenanthrene-1,4-dione
• Formula: C16 H18 O2
• Calculated formula: C16 H18 O2
• Title of publication: Electroorganocatalytic asymmetric Diels–Alder cycloaddition of hydroquinones with α,β-unsaturated aldehydes
• Authors of publication: Pomikło, Dominika; Romaniuk, Krzysztof; Sieroń, Lesław; Albrecht, Anna
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 36
• Pages of publication: 6655 - 6658
• a: 6.3279 ± 0.0001 Å
• b: 8.1376 ± 0.0001 Å
• c: 25.4842 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1312.28 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0241
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No