Information card for entry 7132292

Structure parameters

• Formula: C47 H81 Ca Cd2 Cl8 N28 O33
• Calculated formula: C47 H57 Ca Cd2 Cl8 N28 O21
• Title of publication: Cucurbit[7]uril-based carbon dots for recognizing histamine
• Authors of publication: Hu, Jian-Hang; Wang, Cheng-Hui; Bai, Qing-hong; Chen, Lixia; Zhao, anting; Yuan, Shang-Wei; Chen, Qing; Ma, PeiHua; Tao, Zhu; Xiao, Xin
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 16.852 ± 0.003 Å
• b: 17.108 ± 0.003 Å
• c: 29.168 ± 0.006 Å
• α: 90°
• β: 94.92 ± 0.03°
• γ: 90°
• Cell volume: 8378 ± 3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2506
• Weighted residual factors for all reflections included in the refinement: 0.2609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No