Information card for entry 7234502

Structure parameters

• Formula: C40 H24 Cl2 Cu N6 O2
• Calculated formula: C40 H24 Cl2 Cu N6 O2
• SMILES: [Cu]123(Cl)(Cl)[O](c4c(c5c6c(cc(c5[O]1Cc1[n]3cccc1)C=C(C#N)C#N)cccc6)c1ccccc1cc4C=C(C#N)C#N)Cc1[n]2cccc1
• Title of publication: BINOL-based chiral aggregation-induced emission luminogens and their application in detecting copper(ii) ions in aqueous media
• Authors of publication: Nan Li; Honglian Feng; Qian Gong; Chunxiao Wu; Hao Zhou; Zhiyan Huang; Jun Yang; Xiaohua Chen; Na Zhao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 11458 - 11463
• a: 12.79416 ± 0.00014 Å
• b: 12.79416 ± 0.00014 Å
• c: 44.6986 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7316.74 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No