Information card for entry 7108823

Structure parameters

• Formula: C32 H16 N4
• Calculated formula: C32 H16 N4
• SMILES: N#CC(=C1c2c(ccc(c3ccccc3)c2)C(=C(C#N)C#N)c2cc(ccc12)c1ccccc1)C#N
• Title of publication: Aggregation-induced emission enhancement based on 11,11,12,12,-tetracyano-9,10-anthraquinodimethane
• Authors of publication: Jie Liu; Qing Meng; Xiaotao Zhang; Xiuqiang Lu; Ping He; Lang Jiang; Huanli Dong; Wenping Hu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 1199 - 1201
• a: 18.945 ± 0.004 Å
• b: 9.072 ± 0.0018 Å
• c: 14.608 ± 0.003 Å
• α: 90°
• β: 111.45 ± 0.03°
• γ: 90°
• Cell volume: 2336.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2497
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No