Information card for entry 7123603

Structure parameters

• Formula: C234 H319 F24 N13 O24 P4
• Calculated formula: C234 H318.999 F24 N13 O24 P4
• Title of publication: Probing the Guest-Binding Preference of Three Structurally Similar and Conformationally Adaptive Macrocycles
• Authors of publication: Chai, Hongxin; Pan, Zhi-Sheng; Yang, Liu-Pan; He, Shan; Pan, Fangfang; Rissanen, Kari; Jiang, Wei
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.6647 ± 0.0007 Å
• b: 24.7902 ± 0.001 Å
• c: 26.8978 ± 0.0011 Å
• α: 76.681 ± 0.003°
• β: 82.212 ± 0.003°
• γ: 86.269 ± 0.003°
• Cell volume: 11349.3 ± 0.8 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2346
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.269
• Weighted residual factors for all reflections included in the refinement: 0.3682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No