Information card for entry 2233145

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine
• Formula: C32 H32 N2
• Calculated formula: C32 H32 N2
• SMILES: CCc1cccc(c1/N=C1/C(=N/c2c(CC)cccc2CC)c2c3c1cccc3ccc2)CC
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,6-diethylphenyl)acenaphthylene-1,2-diimine
• Authors of publication: Wang, Li; Luo, Xuyang; Gao, Bo; Wu, Qiaolin; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o128
• a: 13.5134 ± 0.0012 Å
• b: 8.6952 ± 0.0008 Å
• c: 22.3532 ± 0.0019 Å
• α: 90°
• β: 99.413 ± 0.001°
• γ: 90°
• Cell volume: 2591.2 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes