Information card for entry 1505382

Structure parameters

• Formula: C26 H18 O2 S2
• Calculated formula: C26 H18 O2 S2
• SMILES: C1(=O)C(=C(C1=O)c1c(C)sc(c1)c1ccccc1)c1c(C)sc(c1)c1ccccc1
• Title of publication: Gated photochromism of 1,2-diarylethenes.
• Authors of publication: Kühni, Joël; Belser, Peter
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 1915 - 1918
• a: 22.745 ± 0.006 Å
• b: 7.5665 ± 0.0017 Å
• c: 25.334 ± 0.005 Å
• α: 90°
• β: 113.35 ± 0.02°
• γ: 90°
• Cell volume: 4002.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3931
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No