Information card for entry 7152975

Structure parameters

• Formula: C94 H132 N22 O10
• Calculated formula: C94 H132 N22 O10
• Title of publication: Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.
• Authors of publication: Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 28
• Pages of publication: 4581 - 4584
• a: 12.541 ± 0.003 Å
• b: 13.299 ± 0.003 Å
• c: 33.259 ± 0.009 Å
• α: 91.05 ± 0.007°
• β: 93.994 ± 0.007°
• γ: 117.167 ± 0.007°
• Cell volume: 4915 ± 2 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: 0.1143
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.2751
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No