Information card for entry 1569978

Structure parameters

• Formula: C27 H31 B F2 N4 O
• Calculated formula: C27 H31 B F2 N4 O
• SMILES: F[B]1(F)N(=Nc2ccc(OCCCCCCCCCC)cc2)=C(c2[n]1c1c(cc2)cccc1)C#N
• 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: 7.9997 ± 0.0003 Å
• b: 11.4194 ± 0.0004 Å
• c: 14.6997 ± 0.0006 Å
• α: 72.158 ± 0.003°
• β: 82.26 ± 0.003°
• γ: 72.295 ± 0.003°
• Cell volume: 1216.44 ± 0.08 ų
• Cell temperature: 99.9 ± 0.6 K
• Ambient diffraction temperature: 99.9 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No