Information card for entry 7235011

Structure parameters

• Formula: C58 H42 Cl3 N2
• Calculated formula: C58 H42 Cl3 N2
• SMILES: c1ccc(cc1)C(=C(c1ccccc1)c1ccc(cc1)c1ccc(c2ccc(cc2)C(=C(c2ccccc2)c2ccccc2)c2ccccc2)nn1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Aromatic azaheterocycle-cored luminogens with tunable physical properties via nitrogen atoms for sensing strong acids
• Authors of publication: Ruizhi Tang; Xinyang Wang; Wanzheng Zhang; Xiaodong Zhuang; Shuai Bi; Wenbei Zhang; Fan Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 7640 - 7648
• a: 47.441 ± 0.002 Å
• b: 5.6576 ± 0.0003 Å
• c: 35.9697 ± 0.0017 Å
• α: 90°
• β: 105.817 ± 0.003°
• γ: 90°
• Cell volume: 9288.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1647
• Residual factor for significantly intense reflections: 0.1473
• Weighted residual factors for significantly intense reflections: 0.398
• Weighted residual factors for all reflections included in the refinement: 0.4133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No