Information card for entry 4345002

Structure parameters

• Formula: C29 H22 N2 O
• Calculated formula: C29 H22 N2 O
• SMILES: c12c(cccc1ccc(/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)n2)O
• Title of publication: Coordination-Directed Stacking and Aggregation-Induced Emission Enhancement of the Zn(II) Schiff Base Complex.
• Authors of publication: Wang, Dan; Li, Shu-Mu; Zheng, Jian-Quan; Kong, Duan-Yang; Zheng, Xiang-Jun; Fang, De-Cai; Jin, Lin-Pei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 984 - 990
• a: 8.7035 ± 0.001 Å
• b: 13.7761 ± 0.0015 Å
• c: 19.407 ± 0.002 Å
• α: 74.321 ± 0.002°
• β: 86.407 ± 0.002°
• γ: 83.216 ± 0.002°
• Cell volume: 2223.5 ± 0.4 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: 0.1096
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No