Information card for entry 4028681

Structure parameters

• Formula: C37 H35 N3
• Calculated formula: C37 H35 N3
• SMILES: N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(cc1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
• 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: 9.289 ± 0.005 Å
• b: 9.45 ± 0.005 Å
• c: 17.389 ± 0.005 Å
• α: 83.091 ± 0.005°
• β: 89.713 ± 0.005°
• γ: 74.588 ± 0.005°
• Cell volume: 1460.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No