Information card for entry 1552022

Structure parameters

• Formula: C19 H14 Br F O S
• Calculated formula: C19 H14 Br F O S
• SMILES: Brc1c(c2c(S(=O)c3ccc(cc3)C)cccc2F)cccc1
• 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: 11.0067 ± 0.0004 Å
• b: 11.0733 ± 0.0004 Å
• c: 13.4281 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1636.62 ± 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: 0.0159
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No