Information card for entry 1571461

Structure parameters

• Formula: C28 H24 O2 S2
• Calculated formula: C28 H24 O2 S2
• Title of publication: Benchmarking break-junction techniques: electric and thermoelectric characterization of naphthalenophanes.
• Authors of publication: Hurtado-Gallego, Juan; van der Poel, Sebastiaan; Blaschke, Matthias; Gallego, Almudena; Hsu, Chunwei; López-Nebreda, Rubén; Mayor, Marcel; Pauly, Fabian; Agraït, Nicolás; van der Zant, Herre S. J.
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 10751 - 10759
• a: 10.9064 ± 0.0005 Å
• b: 18.3923 ± 0.0011 Å
• c: 10.9552 ± 0.0005 Å
• α: 90°
• β: 90.901 ± 0.004°
• γ: 90°
• Cell volume: 2197.27 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1056
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No