Information card for entry 1516557

Structure parameters

• Formula: C18 H24 B Mn N2 O2
• Calculated formula: C18.002 H24.0045 B1.0005 Mn N2 O2
• Title of publication: Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions
• Authors of publication: Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2271
• a: 21.1662 ± 0.0011 Å
• b: 7.9276 ± 0.0011 Å
• c: 21.8218 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3661.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No