Information card for entry 7159996

Structure parameters

• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• Title of publication: Phosphine-promoted intramolecular Rauhut-Currier/Wittig reaction cascade to access (hetero)arene-fused diquinanes.
• Authors of publication: Maurya, Jay Prakash; Swain, Subham S.; Ramasastry, S. S. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 28
• Pages of publication: 5718 - 5723
• a: 8.5179 ± 0.0004 Å
• b: 10.2457 ± 0.0005 Å
• c: 23.2567 ± 0.001 Å
• α: 90°
• β: 93.088 ± 0.004°
• γ: 90°
• Cell volume: 2026.71 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No