Information card for entry 2232457

Structure parameters

• Chemical name: (Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone
• Formula: C10 H6 O4 S2
• Calculated formula: C10 H6 O4 S2
• SMILES: O=C(c1ccco1)SSC(=O)c1ccco1
• Title of publication: (Furan-2-yl)[(furan-2-yl)carbonyldisulfanyl]methanone
• Authors of publication: Wang, Qian; Shu, Youqin; Hou, Xuehui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3055
• a: 13.69 ± 0.0013 Å
• b: 7.9611 ± 0.0007 Å
• c: 9.9042 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.43 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes