Information card for entry 1575720

Structure parameters

• Formula: C16 H37 B11 N2 O
• Calculated formula: C16 H37 B11 N2 O
• Title of publication: Microwave-assisted Pd-catalyzed B-N cross-coupling for efficient functionalization of the carbaborate [CB₁₁H₁₂]<sup/>.
• Authors of publication: Jin, Yujie; Chen, Lianyu; Jiang, Chennuo; Liu, Jiyong; Zhang, Kang; Duttwyler, Simon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 83
• Pages of publication: 16262 - 16265
• a: 28.669 ± 0.0014 Å
• b: 7.6686 ± 0.0004 Å
• c: 24.2067 ± 0.001 Å
• α: 90°
• β: 114.842 ± 0.002°
• γ: 90°
• Cell volume: 4829.4 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No