Information card for entry 7240750

Structure parameters

• Formula: C40 H28 N4
• Calculated formula: C40 H28 N4
• SMILES: n1c(c2ccccc2)c(n(c1c1ccc(cc1)C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours
• Authors of publication: Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 23187 - 23195
• a: 13.9738 ± 0.0004 Å
• b: 9.4252 ± 0.0002 Å
• c: 22.9485 ± 0.0006 Å
• α: 90°
• β: 102.3 ± 0.001°
• γ: 90°
• Cell volume: 2953.07 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No