Information card for entry 7236908

Structure parameters

• Formula: C27 H23 N3 O2
• Calculated formula: C27 H23 N3 O2
• Title of publication: ESIPT-active multi-color aggregation-induced emission features of triphenylamine‒salicylaldehyde-based unsymmetrical azine family
• Authors of publication: Mathivanan, Moorthy; Tharmalingam, Balamurugan; Lin, Chia-Her; Pandiyan, Baskaran Vijaya; Thiagarajan, Viruthachalam; Murugesapandian, Balasubramanian
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 2
• Pages of publication: 213 - 228
• a: 9.0523 ± 0.0002 Å
• b: 9.4796 ± 0.0003 Å
• c: 15.3386 ± 0.0004 Å
• α: 101.215 ± 0.002°
• β: 96.659 ± 0.002°
• γ: 117.266 ± 0.002°
• Cell volume: 1115.46 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1179
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No