Information card for entry 7112851

Structure parameters

• Formula: C72 H54 B3 Cl9 F6 N6 O6
• Calculated formula: C72 H54 B3 Cl9 F6 N6 O6
• Title of publication: Cation recognition and pseudorotaxane formation of tris-dipyrrin BF2 macrocycles.
• Authors of publication: Sakamoto, Naoya; Ikeda, Chusaku; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 36
• Pages of publication: 6732 - 6734
• a: 16.94 ± 0.03 Å
• b: 20.22 ± 0.04 Å
• c: 20.85 ± 0.05 Å
• α: 90°
• β: 95.87 ± 0.08°
• γ: 90°
• Cell volume: 7104 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.2535
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No