Information card for entry 7158772

Structure parameters

• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• Title of publication: Substrate-dependent reaction of 1-aryl-2-alkyl-1,2-diketones with 2-aroyl-1-chlorocyclopropanecarboxylates: selective access to 2ʹ,5ʹ-dicyclopropoxy-1,1ʹ:4ʹ,1ʺ-teraryls and pentafulvenes
• Authors of publication: Prakash, Meher; Rani, Poonam; Samanta, Sampak
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.3447 ± 0.0005 Å
• b: 21.7403 ± 0.0015 Å
• c: 12.7291 ± 0.001 Å
• α: 90°
• β: 103.687 ± 0.002°
• γ: 90°
• Cell volume: 1974.8 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No