Information card for entry 7238059

Structure parameters

• Formula: C22 H14 O3 S
• Calculated formula: C22 H14 O3 S
• Title of publication: Synthesis of dihydrofuro- and C-alkenylated naphthoquinones catalyzed by manganese(III) acetate
• Authors of publication: Alagöz, Oğuzhan; Yılmaz, Mehmet; Pekel, A. Tarık; Graiff, Claudia; Maggi, Raimondo
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14644
• a: 5.4864 ± 0.001 Å
• b: 17.096 ± 0.003 Å
• c: 18.238 ± 0.003 Å
• α: 90°
• β: 94.053 ± 0.004°
• γ: 90°
• Cell volume: 1706.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.088
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No