Information card for entry 7105554

Structure parameters

• Formula: C102 H104 F24 N8 O12 P4
• Calculated formula: C102 H104 F24 N8 O12 P4
• Title of publication: Complexation between pentiptycene-based mono(crown ether)s and tetracationic cyclobis(paraquat-p-phenylene): who is the host or the guest?
• Authors of publication: Cao, Jing; Lu, Hai-Yan; Xiang, Jun-Feng; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3586 - 3588
• a: 13.719 ± 0.003 Å
• b: 26.481 ± 0.005 Å
• c: 27.621 ± 0.006 Å
• α: 90°
• β: 95.51 ± 0.03°
• γ: 90°
• Cell volume: 9988 ± 4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No