Information card for entry 7113936

Structure parameters

• Formula: C163 H175 F24 N63 O50 P4
• Calculated formula: C163 H175 F24 N63 O50 P4
• Title of publication: Efficient syntheses of pillar[6]arene-based hetero[4]rotaxanes using a cooperative capture strategy
• Authors of publication: Xisen Hou; Chenfeng Ke; Chuyang Cheng; Nan Song; Anthea K. Blackburn; Amy A. Sarjeant; Youssry Y. Botros; Ying-Wei Yang; J. Fraser
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6196
• a: 16.0511 ± 0.0005 Å
• b: 25.4637 ± 0.0009 Å
• c: 30.2922 ± 0.001 Å
• α: 91.6273 ± 0.0018°
• β: 94.4694 ± 0.0018°
• γ: 90.902 ± 0.002°
• Cell volume: 12336.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1575
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.3725
• Weighted residual factors for all reflections included in the refinement: 0.3931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.546
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No