Information card for entry 7107921

Structure parameters

• Formula: C44 H56 O4 S Si2
• Calculated formula: C44 H56 O4 S Si2
• Title of publication: Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes
• Authors of publication: Brandon Djukic; Dmitrii Perepichka
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6651
• a: 8.479 ± 0.0004 Å
• b: 15.5718 ± 0.0007 Å
• c: 15.9893 ± 0.0007 Å
• α: 86.192 ± 0.002°
• β: 79.705 ± 0.002°
• γ: 76.941 ± 0.002°
• Cell volume: 2022.67 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No