Information card for entry 7216993

Structure parameters

• Common name: 6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indanyl]amino-beta-cyclodextrin
• Chemical name: 6-deoxy-6-[(1R,2S)-1-(2-hydroxy)indamyl]aminocyclomaltoheptaose
• Formula: C51 H108 N O50
• Calculated formula: C51 H75 N O49.66
• Title of publication: Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†
• Authors of publication: Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1667
• a: 15.519 ± 0.001 Å
• b: 10.124 ± 0.002 Å
• c: 23.519 ± 0.004 Å
• α: 90°
• β: 102.67 ± 0.01°
• γ: 90°
• Cell volume: 3605.2 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0691
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No