Information card for entry 7211100

Structure parameters

• Formula: C34 H26 N2 O
• Calculated formula: C34 H26 N2 O
• SMILES: O(c1ccc(/C=C(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)\C#N)cc1)C
• Title of publication: Heating and mechanical force-induced “turn on” fluorescence of cyanostilbene derivative with H-type stacking
• Authors of publication: Zhang, Yujian; Sun, Jingwei; Lv, Xiaojing; Ouyang, Mi; Cao, Feng; Pan, Guoxiang; Pan, Luping; Fan, Guangbo; Yu, Weiwei; He, Chao; Zheng, Sishi; Zhang, Feng; Wang, Wei; Zhang, Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8998
• a: 6.897 ± 0.003 Å
• b: 45.92 ± 0.02 Å
• c: 8.08 ± 0.004 Å
• α: 90°
• β: 94.826 ± 0.007°
• γ: 90°
• Cell volume: 2550 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No