Information card for entry 7215800

Structure parameters

• Formula: C16 H26 B F4 N O5
• Calculated formula: C16 H26 B F4 N O5
• 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: 8.763 ± 0.0018 Å
• b: 14.503 ± 0.003 Å
• c: 15.775 ± 0.003 Å
• α: 90°
• β: 98.41 ± 0.03°
• γ: 90°
• Cell volume: 1983.3 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2804
• Weighted residual factors for all reflections included in the refinement: 0.3355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No