Information card for entry 2011018

Structure parameters

• Formula: C9 H22 B P
• Calculated formula: C9 H22 B P
• SMILES: [P]1(C(CCC1)C)(C(C)(C)C)[BH3]
• Title of publication: 1-<i>tert</i>-Butyl-2-methylphospholane‒borane and its coupling product 2,2'-bis(1-<i>tert</i>-butylphospholane‒borane)
• Authors of publication: Atsushi Ohashi; Tsuneo Imamoto
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 723 - 725
• a: 12.52 ± 0.02 Å
• b: 6.944 ± 0.001 Å
• c: 12.919 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1123.2 ± 1.8 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.913
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes