Information card for entry 4028676

Structure parameters

• Formula: C33 H26 N2 O0
• Calculated formula: C33 H26 N2
• SMILES: c1ccccc1N(c1ccccc1)c1ccc(cc1)/C=C/c1ccc(cc1)/N=C/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: 9.806 ± 0.003 Å
• b: 15.377 ± 0.005 Å
• c: 24.836 ± 0.008 Å
• α: 88.03 ± 0.004°
• β: 88.733 ± 0.004°
• γ: 82.218 ± 0.004°
• Cell volume: 3708 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3235
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No