Information card for entry 1558120

Structure parameters

• Formula: C25 H31 B F2 N2 O
• Calculated formula: C25 H31 B F2 N2 O
• SMILES: [B]1(F)(F)[n]2cccc2=C(c2cccn12)c1ccc(cc1)OCCCCCCCCCC
• Title of publication: The effect of structural heterogeneity upon the microviscosity of ionic liquids.
• Authors of publication: Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6121 - 6133
• a: 7.9871 ± 0.0004 Å
• b: 15.6608 ± 0.0008 Å
• c: 19.341 ± 0.0011 Å
• α: 74.494 ± 0.005°
• β: 87.66 ± 0.004°
• γ: 76.49 ± 0.004°
• Cell volume: 2266.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No