Information card for entry 7111368

Structure parameters

• Formula: C21 H41 Cl3 N8 O13
• Calculated formula: C21 H39 Cl3 N8 O13
• Title of publication: Imidazolidinium-based robust crypt with unique selectivity for fluoride anion
• Authors of publication: Zhang, Bing-guang; Cai, Ping; Duan, Chun-ying; Miao, Ren; Zhu, Long-gen; Niitsu, Takashi; Inoue, Hakuai
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2206 - 2207
• a: 10.41 ± 0.002 Å
• b: 17.524 ± 0.004 Å
• c: 18.478 ± 0.004 Å
• α: 71.761 ± 0.004°
• β: 88.852 ± 0.004°
• γ: 88.393 ± 0.004°
• Cell volume: 3200 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No