Information card for entry 4028679

Structure parameters

• Formula: C32 H25 N3
• Calculated formula: C32 H25 N3
• SMILES: N(c1ccccc1)(c1ccc(/C=C/c2ccc(/N=C/c3ccncc3)cc2)cc1)c1ccccc1
• Title of publication: Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces
• Authors of publication: Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10344 - 10359
• a: 9.7586 ± 0.0012 Å
• b: 15.4226 ± 0.0019 Å
• c: 24.439 ± 0.003 Å
• α: 88.839 ± 0.002°
• β: 89.37 ± 0.002°
• γ: 82.413 ± 0.002°
• Cell volume: 3645.1 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1438
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No