Information card for entry 1557981

Structure parameters

• Formula: C52 H40 N2
• Calculated formula: C52 H40 N2
• SMILES: c1c(cccc1)c1c(c(cc(c1)c1ccccc1)c1ccccc1)/N=C(C)/C(=N/c1c(c2ccccc2)cc(cc1c1ccccc1)c1ccccc1)C
• Title of publication: 2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline
• Authors of publication: Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 4
• Pages of publication: x200531
• a: 6.383 ± 0.008 Å
• b: 12.498 ± 0.015 Å
• c: 12.814 ± 0.016 Å
• α: 68.718 ± 0.011°
• β: 86.988 ± 0.012°
• γ: 81.397 ± 0.012°
• Cell volume: 942 ± 2 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: 0.1092
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1582
• 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: No