Information card for entry 7055870

Structure parameters

• Chemical name: (E)-4-(4-(benzo[d]thiazol-2-yl)styryl)-N,N-diphenylaniline
• Formula: C33 H24 N2 S
• Calculated formula: C33 H24 N1.6635 S0.6635
• Title of publication: Reversible piezofluorochromism of a triphenylamine-based benzothiazole derivative with a strong fluorescence response to volatile acid vapors
• Authors of publication: Zhan, Yong; Yang, Peng; Li, Gang; Zhang, Yuanyuan; Bao, Ying
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 263
• a: 10.193 ± 0.0006 Å
• b: 10.5329 ± 0.0006 Å
• c: 26.0752 ± 0.0018 Å
• α: 85.312 ± 0.004°
• β: 82.9 ± 0.004°
• γ: 64.441 ± 0.004°
• Cell volume: 2504.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1347
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No