Information card for entry 7057548

Structure parameters

• Formula: C36 H34 N6 O6
• Calculated formula: C36 H28 N6 O6
• Title of publication: Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule
• Authors of publication: Banerjee, Saikat; Dey, Arka; Ghorai, Pravat; Brandão, Paula; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim; Saha, Amrita
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 13430
• a: 11.001 ± 0.004 Å
• b: 24.698 ± 0.01 Å
• c: 6.161 ± 0.002 Å
• α: 90°
• β: 92.192 ± 0.012°
• γ: 90°
• Cell volume: 1672.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.2159
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.3024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No