Information card for entry 2203145

Structure parameters

• Chemical name: 2-[2-(2,6-Dimethylphenylamino)phenylmethyleneamino]-1,3-diisopropylbenzene
• Formula: C27 H32 N2
• Calculated formula: C27 H32 N2
• SMILES: N(=C\c1ccccc1Nc1c(cccc1C)C)/c1c(cccc1C(C)C)C(C)C
• Title of publication: 2-[2-(2,6-Dimethylphenylamino)phenylmethyleneamino]-1,3-diisopropylbenzene
• Authors of publication: Gao, Haiyang; Wu, Qing; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o193 - o195
• a: 12.013 ± 0.002 Å
• b: 7.789 ± 0.001 Å
• c: 25.542 ± 0.003 Å
• α: 90°
• β: 97.802 ± 0.003°
• γ: 90°
• Cell volume: 2367.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes