Information card for entry 2101989

Structure parameters

• Formula: C15 H14 O3 S
• Calculated formula: C15 H14 O3 S
• Title of publication: Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones
• Authors of publication: Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 112 - 117
• a: 10.4698 ± 0.0009 Å
• b: 10.277 ± 0.0009 Å
• c: 25.449 ± 0.002 Å
• α: 90°
• β: 98.429 ± 0.001°
• γ: 90°
• Cell volume: 2708.7 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• 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: 0.2386
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections: 0.929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes