Information card for entry 1516555

Structure parameters

• Formula: C15 H23 B Mn O3 P
• Calculated formula: C15 H23 B Mn O3 P
• 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: 16.5774 ± 0.0007 Å
• b: 16.5774 ± 0.0007 Å
• c: 10.5446 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2509.54 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No