Information card for entry 7124998

Structure parameters

• Chemical name: gb_ER719
• Formula: C9 H20 B N O2
• Calculated formula: C9 H20 B N O2
• Title of publication: Catalyst-free dehydrocoupling of amines, alcohols, and thiols with pinacol borane and 9-borabicyclononane (9-BBN).
• Authors of publication: Romero, Erik A.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 69
• Pages of publication: 10563 - 10565
• a: 10.1195 ± 0.0006 Å
• b: 29.385 ± 0.002 Å
• c: 7.4892 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No