Information card for entry 1577035

Structure parameters

• Formula: C48 H78 B11 Mg N7 O Si2
• Calculated formula: C48 H78 B11 Mg N7 O Si2
• Title of publication: Stepwise BN bond cleavage by isocyanides: access to the 3-azaborole structural motif
• Authors of publication: Xiang, Libo; Kwan, Ka Ho; Jing, Yi; Wang, Junyi; Matler, Alexander; Chen, Xuenian; Lin, Zhenyang; Ye, Qing
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.6536 ± 0.0002 Å
• b: 12.6438 ± 0.0003 Å
• c: 22.2211 ± 0.0006 Å
• α: 89.441 ± 0.002°
• β: 78.944 ± 0.002°
• γ: 71.061 ± 0.002°
• Cell volume: 2774.2 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• 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