Information card for entry 1550926

Structure parameters

• Chemical name: AzaEx2Cage-Pycho
• Formula: C114 H83 Br0.5 F33 N13 O2 P5.5
• Calculated formula: C114 H83 Br0.5 F33 N13 O2 P5.5
• Title of publication: Guest recognition enhanced by lateral interactions
• Authors of publication: Jiao, Tianyu; Cai, Kang; Liu, Zhichang; Wu, Guangcheng; Shen, Libo; Cheng, Chuyang; Feng, Yuanning; Stern, Charlotte L.; Stoddart, J. Fraser; Li, Hao
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 27.3248 ± 0.0015 Å
• b: 42.161 ± 0.003 Å
• c: 24.16 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27833 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.2586
• Residual factor for significantly intense reflections: 0.1608
• Weighted residual factors for significantly intense reflections: 0.3936
• Weighted residual factors for all reflections included in the refinement: 0.4438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No