Information card for entry 4105224

Structure parameters

• Formula: C24 H18 O4 S
• Calculated formula: C24 H16 O4 S
• Title of publication: Which One Is Preferred: Myers-Saito Cyclization of Ene-Yne-Allene or Garratt-Braverman Cyclization of Conjugated Bisallenic Sulfone? A Theoretical and Experimental Study
• Authors of publication: Amit Basak; Sanket Das; Dibyendu Mallick; Eluvathingal D. Jemmis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15695 - 15704
• a: 9.115 ± 0.003 Å
• b: 9.932 ± 0.003 Å
• c: 12.311 ± 0.004 Å
• α: 79.456 ± 0.009°
• β: 89.201 ± 0.01°
• γ: 63.883 ± 0.009°
• Cell volume: 981 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1465
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No