Information card for entry 7216922

Structure parameters

• Formula: C49 H57 Cl K N O10
• Calculated formula: C49 H42 Cl K N O10
• Title of publication: Picolyl-armed 1,3-alternate calix[4]areneazacrown ethers
• Authors of publication: Seung Kim, Jong; Shon, Ok Jae; Sim, Wonbo; Kyu Kim, Sun; Cho, Moon Hwan; Kim, Jin-Gyu; Suh, Il-Hwan; Kim, Dong Won
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 31
• a: 16.4923 ± 0.0015 Å
• b: 13.9235 ± 0.0011 Å
• c: 19.913 ± 0.005 Å
• α: 90°
• β: 92.856 ± 0.014°
• γ: 90°
• Cell volume: 4567 ± 1.3 ų
• Cell temperature: 288 K
• Ambient diffraction temperature: 288 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2128
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No