Information card for entry 4068472

Structure parameters

• Formula: C14 H4 F5 P S2
• Calculated formula: C14 H4 F5 P S2
• SMILES: p1(c2c(scc2)c2sccc12)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Highly Fluorinated Dithieno[3,2-b:2′,3′-d]phospholes with Stabilized LUMO Levels
• Authors of publication: Ren, Yi; Dienes, Yvonne; Hettel, Sonja; Parvez, Masood; Hoge, Berthold; Baumgartner, Thomas
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 734
• a: 11.0038 ± 0.0011 Å
• b: 14.7512 ± 0.0016 Å
• c: 15.7784 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2561.1 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No