Information card for entry 4314644

Structure parameters

• Formula: C106 H148 N16 O28
• Calculated formula: C106 H135 N16 O28
• Title of publication: A Versatile Tripodal Amide Receptor for the Encapsulation of Anions or Hydrated Anions via Formation of Dimeric Capsules
• Authors of publication: M. Arunachalam; Pradyut Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 943 - 951
• a: 13.6878 ± 0.0008 Å
• b: 15.7779 ± 0.0009 Å
• c: 26.9291 ± 0.0017 Å
• α: 77.812 ± 0.002°
• β: 86.317 ± 0.002°
• γ: 69.696 ± 0.001°
• Cell volume: 5331.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No