Information card for entry 7126618

Structure parameters

• Formula: C25 H19 N
• Calculated formula: C25 H19 N
• SMILES: n1ccc(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)cc1
• Title of publication: Effects of incorporating regioisomers and flexible rotors to direct aggregation induced emission to achieve stimuli-responsive luminogens, security inks and chemical warfare agent sensors.
• Authors of publication: Adil, Laxmi Raman; Iyer, Parameswar Krishnan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 55
• Pages of publication: 7633 - 7636
• a: 5.7544 ± 0.0007 Å
• b: 11.1791 ± 0.0013 Å
• c: 28.221 ± 0.003 Å
• α: 90°
• β: 95.062 ± 0.002°
• γ: 90°
• Cell volume: 1808.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No