Information card for entry 1556535

Structure parameters

• Common name: TPE-Py
• Chemical name: TPE-EP-Y
• Formula: C34 H28 F6 N P
• Calculated formula: C34 H28 F6 N P
• Title of publication: Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures
• Authors of publication: Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 997 - 1005
• a: 24.8939 ± 0.0007 Å
• b: 9.1783 ± 0.0002 Å
• c: 12.5794 ± 0.0003 Å
• α: 90°
• β: 98.168 ± 0.003°
• γ: 90°
• Cell volume: 2845.03 ± 0.12 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No