Information card for entry 7123013

Structure parameters

• Formula: C145 H227.5 N12.5 O91
• Calculated formula: C145 H170 N12.5 O91
• Title of publication: Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds
• Authors of publication: Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 17.1191 ± 0.0011 Å
• b: 29.2535 ± 0.0018 Å
• c: 19.9019 ± 0.0013 Å
• α: 90°
• β: 91.676 ± 0.004°
• γ: 90°
• Cell volume: 9962.5 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2853
• Weighted residual factors for all reflections included in the refinement: 0.2905
• Goodness-of-fit parameter for all reflections included in the refinement: 2.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No