Information card for entry 7021154

Structure parameters

• Formula: C30 H52 B2 N6 O
• Calculated formula: C30 H52 B2 N6 O
• Title of publication: Cycloaddition reactions between dicyclohexylboron azide and alkynes.
• Authors of publication: Melen, Rebecca L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4795 - 4798
• a: 9.1297 ± 0.0004 Å
• b: 9.2734 ± 0.0004 Å
• c: 19.1974 ± 0.0008 Å
• α: 79.937 ± 0.002°
• β: 80.421 ± 0.002°
• γ: 73.642 ± 0.002°
• Cell volume: 1523.67 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No