Information card for entry 1516056

Structure parameters

• Formula: C24 H16 N2
• Calculated formula: C24 H16 N2
• SMILES: c1ccc(cc1)C(=C\c1ccc(cc1)/C=C(C#N)/c1ccccc1)\C#N
• Title of publication: Relaxation Dynamics and Structural Characterization of Organic Nanobelts with Aggregation-Induced Emission
• Authors of publication: Chang, Chih-Wei; Bhongale, Chetan Jagdish; Lee, Chi-Shen; Huang, Wei-Kai; Hsu, Chain-Shu; Diau, Eric Wei-Guang
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2012
• Journal volume: 116
• Journal issue: 28
• Pages of publication: 15146
• a: 19.5 ± 0.012 Å
• b: 6.929 ± 0.004 Å
• c: 26.031 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3517 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2384
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1508260
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No