Information card for entry 7053009

Structure parameters

• Formula: C20 H10 O2 S
• Calculated formula: C20 H10 O2 S
• Title of publication: Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics
• Authors of publication: Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 601
• a: 11.7261 ± 0.0007 Å
• b: 6.3804 ± 0.0004 Å
• c: 19.3742 ± 0.0012 Å
• α: 90°
• β: 90.906 ± 0.002°
• γ: 90°
• Cell volume: 1449.34 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No