Information card for entry 7223431

Structure parameters

• Chemical name: β-CN-TPA
• Formula: C34 H26 N2 O
• Calculated formula: C34 H26 N2 O
• SMILES: c1(c2ccc(/C=C(/c3ccc(OC)cc3)C#N)cc2)ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Clear Piezochromic Behaviors of AIE-active Organic Powders under Hydrostatic Pressure
• Authors of publication: Ouyang, Mi; Zhan, Lingling; lv, xiao Jing; Cao, Feng; Li, Weijun; Zhang, YuJian; Wang, Kunyan; Zhang, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 21.031 ± 0.003 Å
• b: 6.0833 ± 0.0008 Å
• c: 21.443 ± 0.003 Å
• α: 90°
• β: 109.88 ± 0.002°
• γ: 90°
• Cell volume: 2579.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No