Information card for entry 7021505

Structure parameters

• Formula: C38 H20 B F10 N P2
• Calculated formula: C38 H20 B F10 N P2
• SMILES: N(B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=P(C#CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Boron azides in Staudinger oxidations and cycloadditions.
• Authors of publication: Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 8674 - 8683
• a: 13.6525 ± 0.0011 Å
• b: 9.9457 ± 0.0008 Å
• c: 13.7064 ± 0.0011 Å
• α: 90°
• β: 113.177 ± 0.005°
• γ: 90°
• Cell volume: 1710.9 ± 0.2 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No