Information card for entry 2224091

Structure parameters

• Chemical name: Tetra-<i>n</i>-propylammonium acetate‒boric acid (1/1)
• Formula: C14 H34 B N O5
• Calculated formula: C14 H34 B N O5
• SMILES: OB(O)O.O=C([O-])C.[N+](CCC)(CCC)(CCC)CCC
• Title of publication: Tetra-<i>n</i>-propylammonium acetate‒boric acid (1/1)
• Authors of publication: Yang, Yun-Xia; Li, Qi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2958
• a: 16.4594 ± 0.0003 Å
• b: 16.768 ± 0.0003 Å
• c: 14.4526 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3988.79 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes