Information card for entry 2103881

Structure parameters

• Common name: beta-cyclodextrin/benzidine complex
• Formula: C108 H112 N4 O94.72
• Calculated formula: C108 H112 N4 O94.71
• 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: 15.394 ± 0.007 Å
• b: 31.995 ± 0.012 Å
• c: 15.621 ± 0.007 Å
• α: 90°
• β: 103.738 ± 0.015°
• γ: 90°
• Cell volume: 7474 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes