Information card for entry 7211310

Structure parameters

• Formula: C26 H18 Cl6 N2 O2
• Calculated formula: C26 H18 Cl6 N2 O2
• SMILES: c1cc(c2oc(nc2)c2ccc(c3ncc(c4ccccc4)o3)cc2)ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Tuning solid-state blue and red luminescence by the formation of solvate crystals.
• Authors of publication: Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 19845 - 19852
• a: 5.6826 ± 0.0003 Å
• b: 10.3721 ± 0.0006 Å
• c: 12.1384 ± 0.0009 Å
• α: 70.264 ± 0.002°
• β: 89.299 ± 0.002°
• γ: 82.447 ± 0.003°
• Cell volume: 667.18 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.123
• 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