Information card for entry 7702085

Structure parameters

• Formula: C22 H46 B N P2
• Calculated formula: C22 H46 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: 8.3977 ± 0.0008 Å
• b: 9.8974 ± 0.0008 Å
• c: 17.1444 ± 0.0014 Å
• α: 86.08 ± 0.005°
• β: 78.918 ± 0.004°
• γ: 65.594 ± 0.004°
• Cell volume: 1273.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.7 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: 0.0454
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0571
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No