Information card for entry 4029482

Structure parameters

• Formula: C20 H37 B2 N3 O5
• Calculated formula: C20 H37 B2 N3 O5
• Title of publication: Boryl azides in 1,3-dipolar cycloadditions.
• Authors of publication: Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 5478 - 5483
• a: 10.4871 ± 0.0005 Å
• b: 11.1272 ± 0.0005 Å
• c: 19.6809 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2296.6 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No