Information card for entry 4105530

Structure parameters

• Formula: C38 H42 B2 O4
• Calculated formula: C38 H42 B2 O4
• SMILES: O1B(OC(C1(C)C)(C)C)c1ccc(/C(=C(c2ccc(B3OC(C(O3)(C)C)(C)C)cc2)/c2ccccc2)c2ccccc2)cc1
• Title of publication: Specific Detection of d-Glucose by a Tetraphenylethene-Based Fluorescent Sensor
• Authors of publication: Yi Liu; Chunmei Deng; Li Tang; Anjun Qin; Rongrong Hu; Jing Zhi Sun; Ben Zhong Tang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 660 - 663
• a: 11.0642 ± 0.0007 Å
• b: 11.6068 ± 0.0008 Å
• c: 15.0911 ± 0.0009 Å
• α: 106.687 ± 0.006°
• β: 97.085 ± 0.005°
• γ: 108.966 ± 0.006°
• Cell volume: 1704.7 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No