Information card for entry 7240975

Structure parameters

• Formula: C23 H15 N3
• Calculated formula: C23 H15 N3
• SMILES: n1(c2ccc(cc2)C(=C(C#N)C#N)C)c2ccccc2c2c1cccc2
• Title of publication: Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli.
• Authors of publication: Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 19195 - 19201
• a: 8.4001 ± 0.0004 Å
• b: 27.6987 ± 0.0014 Å
• c: 7.49 ± 0.0004 Å
• α: 90°
• β: 99.621 ± 0.002°
• γ: 90°
• Cell volume: 1718.2 ± 0.15 ų
• Cell temperature: 283 ± 2 K
• Ambient diffraction temperature: 283 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: 0.0851
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No