Information card for entry 7129699

Structure parameters

• Formula: C64.82 H74.65 B Cl4.53 K N2.82 O10
• Calculated formula: C64.824 H74.648 B Cl4.528 K N2.824 O10
• Title of publication: Alkali metal ion binding using cyclic polyketones
• Authors of publication: Ozawa, Narito; Shivakumar, Kilingaru I.; Murugavel, Muthuchamy; Inaba, Yuya; Yoneda, Tomoki; Ide, Yuki; Pirillo, Jenny; Hijikata, Yuh; Inokuma, Yasuhide
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.3354 ± 0.0003 Å
• b: 15.523 ± 0.0004 Å
• c: 16.9525 ± 0.0004 Å
• α: 107.967 ± 0.002°
• β: 106.917 ± 0.002°
• γ: 102.643 ± 0.002°
• Cell volume: 3229.71 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No