Information card for entry 7061374

Structure parameters

• Formula: C16 H19 N3 O2
• Calculated formula: C16 H19 N3 O2
• SMILES: c1(c(cc(cc1OC)N)OC)/N=N/c1c(cccc1C)C
• Title of publication: Structures, solvatochromism, protonation and photoswitching of tetra-(ortho)substituted azobenzenes bearing 3,5-dimethoxy groups
• Authors of publication: Ramírez-Rave, Sandra; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 5996 - 6008
• a: 16.8439 ± 0.0012 Å
• b: 8.1225 ± 0.0006 Å
• c: 29.795 ± 0.002 Å
• α: 90°
• β: 97.644 ± 0.007°
• γ: 90°
• Cell volume: 4040.2 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No