Information card for entry 1573403

Structure parameters

• Formula: C16 H19 N3
• Calculated formula: C16 H19 N3
• SMILES: N(=N/c1ccccc1)\c1c(c(c(N)c(c1C)C)C)C
• Title of publication: Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
• Authors of publication: Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 876 - 888
• a: 7.8385 ± 0.0006 Å
• b: 5.253 ± 0.0004 Å
• c: 16.8163 ± 0.0013 Å
• α: 90°
• β: 103.167 ± 0.002°
• γ: 90°
• Cell volume: 674.22 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No