Information card for entry 4502007

Structure parameters

• Formula: C12 H8 O2 S
• Calculated formula: C12 H8 O2 S
• SMILES: c12ccccc1c1c(S2(=O)=O)cccc1
• Title of publication: Dibenzothiophene Derivatives: From Herringbone to Lamellar Packing Motif
• Authors of publication: Wang, Chengliang; Dong, Huanli; Li, Hongxiang; Zhao, Huaping; Meng, Qing; Hu, Wenping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 4155
• a: 10.043 ± 0.002 Å
• b: 13.844 ± 0.003 Å
• c: 7.0241 ± 0.0014 Å
• α: 90°
• β: 91.34 ± 0.03°
• γ: 90°
• Cell volume: 976.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No