Information card for entry 2103880

Structure parameters

• Common name: beta-Cyclodextrin/ 1,2-bis(4-aminophenyl)ethane complex
• Formula: C112 H127 N4 O88.08
• Calculated formula: C112 H127 N4 O88.07
• Title of publication: Molecular structures of the inclusion complexes β-cyclodextrin‒1,2-bis(4-aminophenyl)ethane and β-cyclodextrin‒4,4'-diaminobiphenyl; packing of dimeric β-cyclodextrin inclusion complexes
• Authors of publication: Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 287 - 299
• a: 19.319 ± 0.002 Å
• b: 24.19 ± 0.006 Å
• c: 33.315 ± 0.007 Å
• α: 90°
• β: 103.924 ± 0.014°
• γ: 90°
• Cell volume: 15112 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes