Information card for entry 1519426

Structure parameters

• Formula: C26 H44 B Cl2 N2
• Calculated formula: C26 H44 B Cl2 N2
• Title of publication: Generation of 1,2-azaboretidines via reduction of ADC borane adducts
• Authors of publication: Braunschweig, H.; Gackstatter, A.; Kupfer, T.; Scheller, T.; Hupp, F.; Damme, A.; Arnold, N.; Ewing, W. C.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 3461
• a: 8.7727 ± 0.0011 Å
• b: 16.781 ± 0.002 Å
• c: 18.22 ± 0.002 Å
• α: 90°
• β: 91.317 ± 0.005°
• γ: 90°
• Cell volume: 2681.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No