Information card for entry 7702082

Structure parameters

• Formula: C22 H40 B N P2
• Calculated formula: C22 H40 B N P2
• Title of publication: PNPCB heterocycles via thermal and Lewis acid catalyzed trans-hydroborations.
• Authors of publication: Fan, Louie; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9229 - 9234
• a: 9.7047 ± 0.0007 Å
• b: 16.3976 ± 0.0009 Å
• c: 15.2998 ± 0.001 Å
• α: 90°
• β: 105.659 ± 0.004°
• γ: 90°
• Cell volume: 2344.4 ± 0.3 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: 0.185
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No