Information card for entry 1543133

Structure parameters

• Chemical name: (1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-\ terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent
• Formula: C50 H36 N2
• Calculated formula: C50 H36 N2
• SMILES: c1(ccccc1)c1cc(c(c(c1)c1ccccc1)N=C1C(c2cccc3cccc1c23)=Nc1c(cc(cc1C)c1ccccc1)c1ccccc1)C
• Title of publication: (1<i>E</i>,2<i>E</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis(5'-methyl-[1,1':3',1''-terphenyl]-4'-yl)acenaphthylene-1,2-diimine unknown solvent
• Authors of publication: Zhu, Liqiong; Zhao, Yan
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160594
• a: 15.579 ± 0.003 Å
• b: 16.799 ± 0.004 Å
• c: 17.332 ± 0.004 Å
• α: 72.622 ± 0.002°
• β: 73.116 ± 0.002°
• γ: 84.324 ± 0.002°
• Cell volume: 4142 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes