Information card for entry 7053844

Structure parameters

• Formula: C19 H32 B F4 N O8
• Calculated formula: C19 H32 B F4 N O8
• SMILES: [B](F)(F)(F)[F-].C(=O)(c1cc([NH3+])ccc1)O.O1CCOCCOCCOCCOCCOCC1
• 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: 9.3105 ± 0.0019 Å
• b: 10.982 ± 0.002 Å
• c: 11.809 ± 0.002 Å
• α: 82.8 ± 0.03°
• β: 89.03 ± 0.03°
• γ: 85.61 ± 0.03°
• Cell volume: 1194.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2934
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No