Information card for entry 7215796

Structure parameters

• Formula: C22 H33 B F4.5 N O6
• Calculated formula: C22 H33 B F4.5 N O6
• Title of publication: Positions of amino groups on ammonium salts tunes the conformations of crown ethers: crystal structures, Hirshfeld surfaces and spectroscopic studies
• Authors of publication: Luo, Yang-Hui; Wu, Dong-En; Song, Wen-Tao; Ge, Shu-Wang; Sun, Bai-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5319
• a: 11.802 ± 0.002 Å
• b: 15.408 ± 0.003 Å
• c: 13.991 ± 0.003 Å
• α: 90°
• β: 90.28 ± 0.03°
• γ: 90°
• Cell volume: 2544.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1698
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.286
• Weighted residual factors for all reflections included in the refinement: 0.3369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No