Information card for entry 7109700

Structure parameters

• Formula: C21 H16 F6 N2 S2
• Calculated formula: C21 H16 F6 N2 S2
• Title of publication: Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions
• Authors of publication: Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8036
• a: 22.8128 ± 0.001 Å
• b: 8.4517 ± 0.0003 Å
• c: 24.4912 ± 0.001 Å
• α: 90°
• β: 112.059 ± 0.005°
• γ: 90°
• Cell volume: 4376.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No