Information card for entry 4028682

Structure parameters

• Formula: C37 H35 N3 O
• Calculated formula: C37 H35 N3 O
• SMILES: c1ccccc1N(c1ccccc1)c1ccc(cc1)/C=C/c1ccc(cc1)/N=C/c1c(cc(cc1)N(CC)CC)O
• 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: 9.2815 ± 0.001 Å
• b: 9.4972 ± 0.001 Å
• c: 17.4636 ± 0.0019 Å
• α: 83.778 ± 0.001°
• β: 89.848 ± 0.002°
• γ: 74.469 ± 0.001°
• Cell volume: 1473.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No