Information card for entry 7127976

Structure parameters

• Formula: C98 H83 F24 N9 P4
• Calculated formula: C94 H77 F24 N7 P4
• Title of publication: Adaptive chirality of achiral tetraphenylethene-based tetracationic cyclophanes with dual responses of fluorescence and circular dichroism in water.
• Authors of publication: Zhang, Haiyang; Cheng, Lin; Nian, Hao; Du, Jiang; Chen, Tao; Cao, Liping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 25
• Pages of publication: 3135 - 3138
• a: 22.092 ± 0.003 Å
• b: 20.054 ± 0.003 Å
• c: 42.684 ± 0.006 Å
• α: 90°
• β: 97.443 ± 0.005°
• γ: 90°
• Cell volume: 18751 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0948
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.2641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No