Information card for entry 1575721

Structure parameters

• Formula: C16 H38 B11 N3 O
• Calculated formula: C16 H38 B11 N3 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: 13.018 ± 0.004 Å
• b: 14.127 ± 0.004 Å
• c: 26.513 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4876 ± 3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No