Information card for entry 7123015

Structure parameters

• Formula: C133 H181 N8 O38 P
• Calculated formula: C133 H181 N8 O38 P
• 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: 15.096 ± 0.004 Å
• b: 26.233 ± 0.007 Å
• c: 17.403 ± 0.005 Å
• α: 90°
• β: 108.05 ± 0.003°
• γ: 90°
• Cell volume: 6553 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No