Information card for entry 7233605

Structure parameters

• Formula: C38 H27 Cl3 F2 N2
• Calculated formula: C38 H27 Cl3 F2 N2
• SMILES: c1(ccc(cc1)C1(c2ccc(cc2)N)c2cc(c3ccc(cc3)F)ccc2c2ccc(c3ccc(cc3)F)cc12)N.C(Cl)(Cl)Cl
• Title of publication: Deep-blue luminescent compound that emits efficiently both in solution and solid state with considerable blue-shift upon aggregation
• Authors of publication: Yiwu Liu; Yi Zhang; Xinhui Wu; Qi Lan; Chuansen Chen; Siwei Liu; Zhenguo Chi; Long Jiang; Xudong Chen; Jiarui Xu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 1068 - 1075
• a: 9.3685 ± 0.0004 Å
• b: 12.2751 ± 0.0006 Å
• c: 14.8984 ± 0.0007 Å
• α: 79.556 ± 0.001°
• β: 74.457 ± 0.001°
• γ: 80.621 ± 0.001°
• Cell volume: 1611.43 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No