Information card for entry 7207699

Structure parameters

• Common name: Choline BScB
• Chemical name: 2-hydroxy-N,N,N-trimethylethanaminium 4,4'-dioxo-4H, 4'H-2,2'-spirobi[benzo[d][1,3,2]dioxaborinin]-2-uide
• Formula: C38 H30 B2 N2 O14
• Calculated formula: C38 H30 B2 N2 O14
• Title of publication: Halogen-free chelated orthoborate ionic liquids and organic ionic plastic crystals
• Authors of publication: Shah, Faiz Ullah; Glavatskih, Sergei; Dean, Pamela M.; MacFarlane, Douglas R.; Forsyth, Maria; Antzutkin, Oleg N.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 14
• Pages of publication: 6928
• a: 9.759 ± 0.004 Å
• b: 16.442 ± 0.007 Å
• c: 12.446 ± 0.005 Å
• α: 90°
• β: 110.435 ± 0.011°
• γ: 90°
• Cell volume: 1871.4 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No