Information card for entry 1567447

Structure parameters

• Formula: C40 H26 B N3 O2
• Calculated formula: C40 H26 B N3 O2
• SMILES: O1[B]2(N(=Nc3[n]2cccc3)=C2c3ccccc3C=Cc3ccccc23)Oc2c(c3c1ccc1ccccc31)c1ccccc1cc2
• Title of publication: Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes
• Authors of publication: van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 9713 - 9718
• a: 9.9788 ± 0.0003 Å
• b: 15.3329 ± 0.0005 Å
• c: 19.7187 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3017.04 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No