Information card for entry 4125549

Structure parameters

• Formula: C25 H19 F4 N4
• Calculated formula: C25 H19 F4 N4
• Title of publication: Arylazoindazole Photoswitches: Facile Synthesis and Functionalization via SNAr Substitution.
• Authors of publication: Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T. B. H.; Jacquemin, Denis; Otten, Edwin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.7441 ± 0.0004 Å
• b: 23.0301 ± 0.0013 Å
• c: 14.3273 ± 0.0009 Å
• α: 90°
• β: 103.073 ± 0.002°
• γ: 90°
• Cell volume: 2167.6 ± 0.2 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: 0.0639
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No