Information card for entry 4515273

Structure parameters

• Formula: C73 H65 Br2 Cl2 N2
• Calculated formula: C73 H66 Br2 Cl2 N2
• Title of publication: Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.
• Authors of publication: Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 28
• Pages of publication: 24249 - 24257
• a: 12.2446 ± 0.0004 Å
• b: 9.4399 ± 0.0004 Å
• c: 27.8334 ± 0.001 Å
• α: 90°
• β: 94.697 ± 0.003°
• γ: 90°
• Cell volume: 3206.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No