Information card for entry 7132012

Structure parameters

• Formula: C58 H93 B4 Br N3 O P Si2
• Calculated formula: C58 H93 B4 Br N3 O P 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: 16.8582 ± 0.0004 Å
• b: 22.2789 ± 0.0004 Å
• c: 17.7802 ± 0.0005 Å
• α: 90°
• β: 112.926 ± 0.0009°
• γ: 90°
• Cell volume: 6150.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No