Information card for entry 7207305

Structure parameters

• Formula: C24 H16 N2
• Calculated formula: C24 H16 N2
• SMILES: N#C/C(=C\c1ccc(/C=C(/c2ccccc2)C#N)cc1)c1ccccc1
• Title of publication: Supramolecular interaction-induced self-assembly of organic molecules into ultra-long tubular crystals with wave guiding and amplified spontaneous emission
• Authors of publication: Xu, Yuanxiang; Zhang, Houyu; Li, Feng; Shen, Fangzhong; Wang, Huan; Li, Xianjie; Yu, Yang; Ma, Yuguang
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 4
• Pages of publication: 1592
• a: 6.737 ± 0.002 Å
• b: 8.541 ± 0.003 Å
• c: 8.965 ± 0.003 Å
• α: 79.742 ± 0.007°
• β: 68.025 ± 0.007°
• γ: 67.714 ± 0.007°
• Cell volume: 442.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No