Information card for entry 7127887

Structure parameters

• Formula: C8 H14 B2 N2
• Calculated formula: C8 H14 B2 N2
• Title of publication: Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.
• Authors of publication: Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 21
• Pages of publication: 2645 - 2648
• a: 13.8008 ± 0.0009 Å
• b: 6.3504 ± 0.0004 Å
• c: 12.1141 ± 0.0007 Å
• α: 90°
• β: 90.588 ± 0.003°
• γ: 90°
• Cell volume: 1061.63 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No