Information card for entry 7101339

Structure parameters

• Formula: C20 H22 B Br O4
• Calculated formula: C20 H22 B Br O4
• Title of publication: An alkynylboronic ester cycloaddition route to functionalised aromatic boronic esters
• Authors of publication: Patrick M. Delaney; Jane E. Moore; Joseph P. A. Harrity
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 31
• a: 8.0909 ± 0.0005 Å
• b: 21.9946 ± 0.0012 Å
• c: 11.5867 ± 0.0007 Å
• α: 90°
• β: 106.399 ± 0.003°
• γ: 90°
• Cell volume: 1978 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No