Information card for entry 7231586

Structure parameters

• Formula: C38 H40 B N O4
• Calculated formula: C38 H40 B N O4
• Title of publication: Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds
• Authors of publication: Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 45
• Pages of publication: 7248
• a: 13.5715 ± 0.0012 Å
• b: 10.693 ± 0.0009 Å
• c: 21.9043 ± 0.0016 Å
• α: 90°
• β: 99.931 ± 0.002°
• γ: 90°
• Cell volume: 3131.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0846
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No