Information card for entry 2211451

Structure parameters

• Common name: Diethylether‒trichloroborane
• Chemical name: Diethylether‒trichloroborane
• Formula: C4 H10 B Cl3 O
• Calculated formula: C4 H10 B Cl3 O
• SMILES: Cl[B](Cl)(Cl)[O](CC)CC
• Title of publication: Diethyl ether‒trichloroborane, (C~2~H~5~)~2~O‒BCl~3~
• Authors of publication: Weinmann, Markus; Nuss, Jürgen; Jansen, Martin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5590 - o5591
• a: 11.4235 ± 0.0006 Å
• b: 11.8071 ± 0.0006 Å
• c: 12.6502 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.24 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes