Information card for entry 7124782

Structure parameters

• Common name: Piperidine axle
• Formula: C21 H28 B2 F8 N2 O2
• Calculated formula: C21 H28 B2 F8.003 N2 O2
• Title of publication: Self-assembly of pseudo-rotaxane and rotaxane complexes using an electrostatic slippage approach.
• Authors of publication: Catalán, Aldo C; Tiburcio, Jorge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 61
• Pages of publication: 9526 - 9529
• a: 6.8103 ± 0.0002 Å
• b: 12.0335 ± 0.0004 Å
• c: 15.7289 ± 0.0005 Å
• α: 70.566 ± 0.002°
• β: 78.711 ± 0.002°
• γ: 88.033 ± 0.002°
• Cell volume: 1191.39 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No