Information card for entry 7129180

Structure parameters

• Formula: C69 H67 N3 O13 S
• Calculated formula: C69 H67 N3 O13 S
• Title of publication: Bio-inspired AIE pillar[5]arene probe with multiple binding sites to discriminate alkanediamines
• Authors of publication: Zhou, Yibin; Tang, Hao; Li, Zhao-Hui; Xu, Linxian; Wang, Lingyun; Cao, Derong
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 12.7652 ± 0.0009 Å
• b: 16.0114 ± 0.0013 Å
• c: 16.5435 ± 0.0012 Å
• α: 75.891 ± 0.002°
• β: 82.879 ± 0.002°
• γ: 68.192 ± 0.002°
• Cell volume: 3042.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1954
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No