Information card for entry 2311498

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridine‒4-methoxyphenylborane (1/1)
• Formula: C14 H19 B N2 O
• Calculated formula: C14 H19 B N2 O
• SMILES: [BH2]([n]1ccc(N(C)C)cc1)c1ccc(OC)cc1
• Title of publication: Crystal structure and Hirshfield analysis of the 4-(di-methyl-amino)-pyridine adduct of 4-meth-oxy-phenyl-borane.
• Authors of publication: Shooter, Jesse; Allen, Caleb J.; Tinsley, Colby W. K.; Zakharov, Lev N.; Abbey, Eric R.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1747 - 1750
• a: 12.3538 ± 0.0006 Å
• b: 18.7727 ± 0.001 Å
• c: 23.4056 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5428.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No