Information card for entry 7225932

Structure parameters

• Formula: C33 H24 N2 O3
• Calculated formula: C33 H24 N2 O3
• SMILES: N(=C\c1c(O)ccc(N(=O)=O)c1)/c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A new TICT and AIE-active tetraphenylethene-based Schiff base with reversible piezofluorochromism
• Authors of publication: Han, Fang-Fang; zhang, ran; Zhang, Zhao-Ming; Su, Jian-Guo; Ni, Zhong-Hai
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.616 ± 0.003 Å
• b: 9.35 ± 0.004 Å
• c: 25.07 ± 0.01 Å
• α: 88.325 ± 0.01°
• β: 87.442 ± 0.009°
• γ: 83.16 ± 0.009°
• Cell volume: 1305.4 ± 1 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: 0.1721
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No