Information card for entry 1552023

Structure parameters

• Formula: C19 H14 Br F O S
• Calculated formula: C19 H14 Br F O S
• SMILES: Brc1ccccc1c1c(F)cccc1S(=O)c1ccc(cc1)C
• Title of publication: A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle
• Authors of publication: Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 860 - 866
• a: 7.3598 ± 0.0003 Å
• b: 14.3822 ± 0.0004 Å
• c: 15.5984 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.09 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No