Information card for entry 1550807

Structure parameters

• Common name: N-(4-cyanophenyl)-carbazole
• Chemical name: N-(4-cyanophenyl)-carbazole
• Formula: C19 H12 N2
• Calculated formula: C19 H12 N2
• SMILES: n1(c2c(c3c1cccc3)cccc2)c1ccc(cc1)C#N
• Title of publication: Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering
• Authors of publication: Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei
• Journal of publication: Materials Horizons
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1259
• a: 8.2739 ± 0.0012 Å
• b: 20.681 ± 0.004 Å
• c: 8.5913 ± 0.0011 Å
• α: 90°
• β: 104.937 ± 0.012°
• γ: 90°
• Cell volume: 1420.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No