Information card for entry 7109702

Structure parameters

• Formula: C24 H19 F6 N S
• Calculated formula: C24 H19 F6 N S
• 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: 9.2019 ± 0.0014 Å
• b: 11.35 ± 0.002 Å
• c: 12.04 ± 0.002 Å
• α: 92.035 ± 0.016°
• β: 105.45 ± 0.016°
• γ: 111.628 ± 0.016°
• Cell volume: 1114.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No