Information card for entry 7159995

Structure parameters

• Formula: C26 H22 O2
• Calculated formula: C26 H22 O2
• 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: 10.3208 ± 0.0006 Å
• b: 12.3275 ± 0.0007 Å
• c: 16.0767 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0476
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No