Information card for entry 2241309

Structure parameters

• Chemical name: Borabenzene‒2,6-lutidine
• Formula: C12 H14 B N
• Calculated formula: C12 H14 B N
• SMILES: [B]1(=CC=CC=C1)[n]1c(cccc1C)C
• Title of publication: Crystal structure of the borabenzene‒2,6-lutidine adduct
• Authors of publication: Kivijärvi, Lauri; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o944
• a: 10.008 ± 0.002 Å
• b: 14.447 ± 0.003 Å
• c: 7.136 ± 0.0014 Å
• α: 90°
• β: 90.16 ± 0.03°
• γ: 90°
• Cell volume: 1031.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes