Information card for entry 1569977

Structure parameters

• Formula: C19 H15 B F2 N4 O
• Calculated formula: C19 H15 B F2 N4 O
• Title of publication: Visible light activated energy storage in solid-state Azo-BF₂ switches.
• Authors of publication: Qiu, Qianfeng; Qi, Qingkai; Usuba, Junichi; Lee, Karina; Aprahamian, Ivan; Han, Grace G. D.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 41
• Pages of publication: 11359 - 11364
• a: 17.0351 ± 0.0002 Å
• b: 7.02387 ± 0.0001 Å
• c: 27.7571 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3321.2 ± 0.08 ų
• Cell temperature: 100.09 ± 0.1 K
• Ambient diffraction temperature: 100.09 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No