Information card for entry 7156524

Structure parameters

• Common name: KH-86
• Formula: C8 H6 Cl2 O2 S
• Calculated formula: C8 H6 Cl2 O2 S
• Title of publication: A hemithioindigo molecular motor for metal surface attachment.
• Authors of publication: Hoffmann, Kerstin; Mayer, Peter; Dube, Henry
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1979 - 1983
• a: 4.9268 ± 0.0004 Å
• b: 7.7 ± 0.0007 Å
• c: 12.5316 ± 0.001 Å
• α: 89.531 ± 0.007°
• β: 82.298 ± 0.007°
• γ: 77.518 ± 0.007°
• Cell volume: 459.87 ± 0.07 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No