Information card for entry 4107166

Structure parameters

• Formula: C11 H19 B Br2 N2
• Calculated formula: C11 H19 B Br2 N2
• SMILES: B1(Br)(Br)=C2N(C=CN2C(C)(C)C1)C(C)(C)C
• Title of publication: Generation of a Carbene-Stabilized Bora-borylene and its Insertion into a C-H Bond
• Authors of publication: Philipp Bissinger; Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kupfer; Krzysztof Radacki; Katharina Wagner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19044 - 19047
• a: 7.9621 ± 0.001 Å
• b: 20.604 ± 0.003 Å
• c: 26.06 ± 0.004 Å
• α: 90°
• β: 92.513 ± 0.007°
• γ: 90°
• Cell volume: 4271.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No