Information card for entry 7111468

Structure parameters

• Formula: C59 H67 F12 N3 O18 P2
• Calculated formula: C59 H67 F12 N3 O18 P2
• Title of publication: Formation of dimers of inclusion cryptand/paraquat complexes driven by dipole?dipole and face-to-face ?-stacking interactions
• Authors of publication: Huang, Feihe; Zhou, Liang; Jones, Jason W.; Gibson, Harry W.; Ashraf-Khorassani, Mehdi
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2670 - 2671
• a: 13.2363 ± 0.0015 Å
• b: 16.1803 ± 0.0016 Å
• c: 16.5673 ± 0.0015 Å
• α: 102.397 ± 0.008°
• β: 93.336 ± 0.008°
• γ: 110.76 ± 0.01°
• Cell volume: 3205.2 ± 0.6 ų
• Cell temperature: 100 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: 0.1335
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No