Information card for entry 4134932

Structure parameters

• Formula: C12 H6 Cl4 N2 O2
• Calculated formula: C12 H6 Cl4 N2 O2
• Title of publication: Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.
• Authors of publication: Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.2162 ± 0.001 Å
• b: 7.3078 ± 0.0011 Å
• c: 12.8297 ± 0.0015 Å
• α: 90°
• β: 100.577 ± 0.005°
• γ: 90°
• Cell volume: 665.07 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No