Information card for entry 4126262

Structure parameters

• Formula: C42 H28
• Calculated formula: C42 H28
• SMILES: C1(=C2c3ccccc3c3c2cccc3)c2ccccc2C(=C2c3c(c4c2cccc4)cccc3)C1(C)c1ccccc1
• Title of publication: Third Generation Light-Driven Symmetric Molecular Motors.
• Authors of publication: Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 9.4703 ± 0.0013 Å
• b: 12.0235 ± 0.0018 Å
• c: 13.838 ± 0.002 Å
• α: 103.629 ± 0.004°
• β: 96.792 ± 0.004°
• γ: 91.837 ± 0.004°
• Cell volume: 1517.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No