Information card for entry 7021502

Structure parameters

• Formula: C30 H15 B F10 N P
• Calculated formula: C30 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)(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: 8.1259 ± 0.0018 Å
• b: 10.9061 ± 0.0015 Å
• c: 15.541 ± 0.002 Å
• α: 74.213 ± 0.008°
• β: 86.1 ± 0.009°
• γ: 89.851 ± 0.008°
• Cell volume: 1322.1 ± 0.4 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: 0.0727
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1302
• 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: No
• Has Fobs: No