Information card for entry 4025199

Structure parameters

• Formula: C27 H20 O S
• Calculated formula: C27 H20 O S
• SMILES: S1c2c(cccc2)C(=C\2c3c4ccccc4ccc3C[C@@H]2OC)/c2c1cccc2
• Title of publication: An Enantioselective Synthetic Route toward Second-Generation Light-Driven Rotary Molecular Motors
• Authors of publication: Thomas C. Pijper; Dirk Pijper; Michael M. Pollard; Frédéric Dumur; Stephen G. Davey; Auke Meetsma; Ben L. Feringa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 825 - 838
• a: 7.7954 ± 0.0015 Å
• b: 14.349 ± 0.003 Å
• c: 17.845 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1996.1 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No