Information card for entry 7021503

Structure parameters

• Formula: C32 H15 B F10 N P
• Calculated formula: C32 H15 B F10 N P
• SMILES: P(=NB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C#Cc1ccccc1)(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: 10.4324 ± 0.0003 Å
• b: 11.2938 ± 0.0003 Å
• c: 13.4201 ± 0.0003 Å
• α: 87.9772 ± 0.0014°
• β: 69.0838 ± 0.0013°
• γ: 71.1715 ± 0.0012°
• Cell volume: 1392.22 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No