Information card for entry 7115667

Structure parameters

• Formula: C88 H92 O4
• Calculated formula: C88 H92 O4
• Title of publication: Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT
• Authors of publication: Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11407
• a: 10.871 ± 0.005 Å
• b: 11.053 ± 0.005 Å
• c: 15.84 ± 0.007 Å
• α: 81.772 ± 0.008°
• β: 77.584 ± 0.008°
• γ: 68.14 ± 0.008°
• Cell volume: 1720.9 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No