Information card for entry 2223521

Structure parameters

• Chemical name: 1,3-Bis(2-ethoxyphenyl)triazene methanol 0.33-solvate
• Formula: C16.33 H20.33 N3 O2.33
• Calculated formula: C16.3333 H20.3333 N3 O2.33333
• SMILES: CCOc1ccccc1N/N=N/c1ccccc1OCC.CO
• Title of publication: 1,3-Bis(2-ethoxyphenyl)triazene methanol 0.33-solvate
• Authors of publication: Rofouei, Mohammad Kazem; Melardi, Mohammad Reza; Salemi, Yasaman; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2391
• a: 12.146 ± 0.003 Å
• b: 13.64 ± 0.003 Å
• c: 16.117 ± 0.004 Å
• α: 71.448 ± 0.005°
• β: 72.827 ± 0.004°
• γ: 81.151 ± 0.004°
• Cell volume: 2413.2 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes