Information card for entry 7158771

Structure parameters

• Formula: C21 H19 O4 S
• Calculated formula: C21 H19 O4 S
• 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: 8.6775 ± 0.0006 Å
• b: 9.7016 ± 0.0006 Å
• c: 11.8817 ± 0.0008 Å
• α: 86.39 ± 0.002°
• β: 79.605 ± 0.002°
• γ: 66.426 ± 0.002°
• Cell volume: 901.7 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No