Information card for entry 7112220

Structure parameters

• Formula: C22 H14 N2 O2 S
• Calculated formula: C22 H14 N2 O2 S
• SMILES: C1(=NS(=O)(=O)N=C1c1c2ccccc2ccc1)c1c2ccccc2ccc1
• Title of publication: Thiadiazole dioxide-fused picene: acceptor ability, anion radical formation, and n-type charge transport characteristics
• Authors of publication: Yongfa Xie; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4178
• a: 19.249 ± 0.005 Å
• b: 11.102 ± 0.003 Å
• c: 8.547 ± 0.002 Å
• α: 90°
• β: 106.665 ± 0.004°
• γ: 90°
• Cell volume: 1749.8 ± 0.8 ų
• Cell temperature: 293.1 K
• Ambient diffraction temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No