Information card for entry 2013805

Structure parameters

• Chemical name: (E,E)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene
• Formula: C18 H20 N2
• Calculated formula: C18 H20 N2
• SMILES: CCC(=N\N=C(\c1ccccc1)CC)/c1ccccc1
• Title of publication: (<i>E</i>,<i>E</i>)-1,4-Diethyl-1,4-diphenyl-2,3-diazabutadiene
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o38 - o40
• a: 4.5985 ± 0.0002 Å
• b: 9.6973 ± 0.0005 Å
• c: 16.3968 ± 0.0008 Å
• α: 90°
• β: 94.935 ± 0.003°
• γ: 90°
• Cell volume: 728.47 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes