Information card for entry 7116494

Structure parameters

• Formula: C60 H50 N2 O10
• Calculated formula: C60 H50 N2 O10
• SMILES: N(C=O)(C)C.OC(=O)c1ccc(cc1)c1ccc(cc1)/C(=C(/c1ccc(c2ccc(C(=O)O)cc2)cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)c1ccc(cc1)C(=O)O.N(C=O)(C)C
• Title of publication: Achieving exceptionally high luminescence quantum efficiency by immobilizing an AIE molecular chromophore into a metal-organic framework
• Authors of publication: Zhichao Hu; Guangxi Huang; William P. Lustig; Fangming Wang; Hao Wang; Simon J. Teat; Debasis Banerjee; Deqing Zhang; Jing Li
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 3045
• a: 20.642 ± 0.012 Å
• b: 78.16 ± 0.05 Å
• c: 8.624 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13914 ± 14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2908
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No