Information card for entry 7216992

Structure parameters

• Common name: 6-deoxy-6-[(R)-1-phenylrthyl]amino-beta-cyclodextrin
• Chemical name: 6-deoxy-6-[(R)-1-phenylethyl]aminocyclomaltoheptaose
• Formula: C54 H105 N O43
• Calculated formula: C105.24 H102 N2 O87.24
• 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: 15.019 ± 0.002 Å
• b: 9.115 ± 0.001 Å
• c: 25.988 ± 0.005 Å
• α: 90°
• β: 101.96 ± 0.01°
• γ: 90°
• Cell volume: 3480.5 ± 0.9 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: 0.0801
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No