Information card for entry 7108579

Structure parameters

• Formula: C55 H67 F8 O12
• Calculated formula: C55 H67 F8 O12
• 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: 10.9425 ± 0.0016 Å
• b: 12.8801 ± 0.0016 Å
• c: 20.43 ± 0.003 Å
• α: 79.851 ± 0.01°
• β: 89.064 ± 0.011°
• γ: 73.078 ± 0.006°
• Cell volume: 2709.8 ± 0.7 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: 0.1404
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No