Information card for entry 7112358

Structure parameters

• Formula: C225 H210 I14.45 N8 O23
• Calculated formula: C225 H210 I14.45 N8 O23
• Title of publication: A bowl-shaped organic host using bispyridine ligands: selective encapsulation of carbonyl guests in water.
• Authors of publication: Yazaki, Kohei; Kishi, Norifumi; Akita, Munetaka; Yoshizawa, Michito
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 1630 - 1632
• a: 23.135 ± 0.003 Å
• b: 23.325 ± 0.003 Å
• c: 23.341 ± 0.003 Å
• α: 102.793 ± 0.002°
• β: 91.669 ± 0.002°
• γ: 90.17 ± 0.002°
• Cell volume: 12277 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1711
• Residual factor for significantly intense reflections: 0.1302
• Weighted residual factors for significantly intense reflections: 0.3669
• Weighted residual factors for all reflections included in the refinement: 0.3907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108868
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No