Information card for entry 7132013

Structure parameters

• Formula: C73 H112 B4 Br N5 O Si2
• Calculated formula: C73 H112 B4 Br N5 O Si2
• Title of publication: Insertion of carbon monoxide into an unsymmetrical diborene to form an oxaborirane.
• Authors of publication: Zhu, Lizhao; Kinjo, Rei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 18.5558 ± 0.0009 Å
• b: 18.6589 ± 0.001 Å
• c: 21.0096 ± 0.0011 Å
• α: 90°
• β: 91.388 ± 0.0014°
• γ: 90°
• Cell volume: 7272 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No