Information card for entry 7213374

Structure parameters

• Chemical name: 2,2'-diphenyl-2,2'-bis(1,3-dithianyl)
• Formula: C20 H22 S4
• Calculated formula: C20 H22 S4
• Title of publication: Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl †
• Authors of publication: Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 2090
• a: 15.489 ± 0.0003 Å
• b: 7.7878 ± 0.0001 Å
• c: 15.793 ± 0.0003 Å
• α: 90°
• β: 101.341 ± 0.001°
• γ: 90°
• Cell volume: 1867.84 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.1079
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No