Information card for entry 2233146

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-{(<i>E</i>)-2-[(3,5-Dimethylbiphenyl-4- yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline
• Formula: C40 H32 N2
• Calculated formula: C40 H32 N2
• SMILES: Cc1cc(cc(c1/N=C1/C(=N/c2c(C)cc(cc2C)c2ccccc2)c2c3c1cccc3ccc2)C)c1ccccc1
• Title of publication: (<i>E</i>)-<i>N</i>-{(<i>E</i>)-2-[(3,5-Dimethylbiphenyl-4-yl)imino]acenaphthen-1-ylidene}-2,6-dimethyl-4-phenylaniline
• Authors of publication: Yuan, Jianchao; Xie, Xiaoli; Liu, Yufeng; Miao, Chengping; Li, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o210
• a: 22.994 ± 0.014 Å
• b: 8.676 ± 0.005 Å
• c: 18.652 ± 0.018 Å
• α: 90°
• β: 124.084 ± 0.004°
• γ: 90°
• Cell volume: 3082 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes