Information card for entry 7126617

Structure parameters

• Formula: C25 H17 N
• Calculated formula: C25 H17 N
• SMILES: n1ccc(c2ccc(C=C3c4c(c5c3cccc5)cccc4)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: 8.3412 ± 0.0004 Å
• b: 20.3704 ± 0.0009 Å
• c: 10.3467 ± 0.0005 Å
• α: 90°
• β: 95.383 ± 0.003°
• γ: 90°
• Cell volume: 1750.29 ± 0.14 ų
• Cell temperature: 298 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No