Information card for entry 7240294

Structure parameters

• Chemical name: 180618a
• Formula: C30 H22 N2 O2
• Calculated formula: C30 H22 N2 O2
• SMILES: c1c(C(=C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)c2ccc(cc2)OC)ccc(c1)OC
• Title of publication: Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D‒π‒A structure
• Authors of publication: Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 25
• Pages of publication: 14520 - 14524
• a: 9.6368 ± 0.0013 Å
• b: 15.6248 ± 0.0016 Å
• c: 16.1815 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2436.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1773
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for significantly intense reflections: 0.3479
• Weighted residual factors for all reflections included in the refinement: 0.4183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No