Information card for entry 7154490

Structure parameters

• Common name: CB7
• Chemical name: CB7
• Formula: C56 H103 I2 N30 O29.5
• Calculated formula: C56 H92 I2 N30 O29.535
• Title of publication: Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.
• Authors of publication: Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 22
• Pages of publication: 6249 - 6254
• a: 23.7902 ± 0.0019 Å
• b: 30.832 ± 0.002 Å
• c: 43.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 31849 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No