Information card for entry 7717901

Structure parameters

• Formula: C21 H38 B N3
• Calculated formula: C21 H38 B N3
• Title of publication: Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.
• Authors of publication: Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 3857 - 3862
• a: 18.5782 ± 0.0005 Å
• b: 13.3262 ± 0.0004 Å
• c: 8.4378 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No