Information card for entry 7108581

Structure parameters

• Formula: C16 H10 F4 O4
• Calculated formula: C16 H10 F4 O4
• SMILES: C(=O)c1cc(c(C)o1)C1=C(C(C1(F)F)(F)F)c1cc(C=O)oc1C
• 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: 7.769 ± 0.0008 Å
• b: 11.4753 ± 0.0012 Å
• c: 16.5918 ± 0.0017 Å
• α: 92.603 ± 0.008°
• β: 90.925 ± 0.008°
• γ: 106.115 ± 0.008°
• Cell volume: 1419 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No