Information card for entry 7053841

Structure parameters

• Formula: C18 H30 B F4 N O7
• Calculated formula: C18 H30 B F4 N O7
• SMILES: O1CCOCCOCCOCCOCC1.O=C(O)c1ccc(cc1)C[NH3+].[B](F)(F)(F)[F-]
• Title of publication: Supramolecular assembly and host‒guest interaction of crown ether with inorganic acid and organic amine containing carboxyl groups
• Authors of publication: Luo, Yang-Hui; Ge, Shu-Wang; Song, Wen-Tao; Sun, Bai-Wang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 2
• Pages of publication: 723
• a: 9.506 ± 0.0019 Å
• b: 15.001 ± 0.003 Å
• c: 15.777 ± 0.003 Å
• α: 90°
• β: 94.68 ± 0.03°
• γ: 90°
• Cell volume: 2242.3 ± 0.8 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: 0.2047
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2954
• Weighted residual factors for all reflections included in the refinement: 0.3653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No