Information card for entry 4028678

Structure parameters

• Formula: C32 H25 N3
• Calculated formula: C32 H25 N3
• SMILES: C(=N\c1ccc(cc1)/C=C/c1ccc(cc1)N(c1ccccc1)c1ccccc1)/c1cccnc1
• 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: 9.488 ± 0.005 Å
• b: 9.065 ± 0.005 Å
• c: 29.064 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.599 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2471.7 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No