Information card for entry 7216991

Structure parameters

• Common name: 6-deoxy-6-[(R)-1-cyclohexylethyl]amino-beta-cyclodextrin
• Chemical name: 6-deoxy-6-[(R)-1-cyclohexylethyl]aminocyclomaltoheptaose
• Formula: C50 H101 N O42
• Calculated formula: C100 H122 N2 O84
• 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: 15.215 ± 0.001 Å
• b: 15.862 ± 0.001 Å
• c: 15.417 ± 0.001 Å
• α: 90°
• β: 116.79 ± 0.01°
• γ: 90°
• Cell volume: 3321.4 ± 0.5 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: 0.0824
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No