Information card for entry 7124432

Structure parameters

• Formula: C64 H56 F12 N4 O12 P2
• Calculated formula: C64 H46 F12 N4 O12 P2
• Title of publication: Atropisomer-based Construction of Macrocyclic Hosts that Selectively Recognize Tryptophan from Standard Amino Acids
• Authors of publication: Yang, Fei; Liu, Caiping; Yin, Di; Xu, Yanqing; Wu, Mingyan; Wei, Wei
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 27.3135 ± 0.001 Å
• b: 21.0409 ± 0.0008 Å
• c: 21.4328 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12317.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.232
• Residual factor for significantly intense reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.3548
• Weighted residual factors for all reflections included in the refinement: 0.4098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No