Information card for entry 7108580

Structure parameters

• Formula: C16 H10 F4 O2 S2
• Calculated formula: C16 H10 F4 O2 S2
• SMILES: C(=O)c1cc(c(C)s1)C1=C(c2cc(C=O)sc2C)C(C1(F)F)(F)F
• Title of publication: Pronounced effects on switching efficiency of diarylcycloalkenes upon cycloalkene ring contraction
• Authors of publication: Dmytro Sysoiev; Tetyana Yushchenko; Elke Scheer; Ulrich Groth; Ulrich E. Steiner; Thomas E. Exner; Thomas Huhn
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11355
• a: 21.146 ± 0.003 Å
• b: 8.0742 ± 0.0008 Å
• c: 9.9346 ± 0.0017 Å
• α: 90°
• β: 112.593 ± 0.012°
• γ: 90°
• Cell volume: 1566 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No