Information card for entry 3000045

Structure parameters

• Formula: C48 H42 B2 F8 Fe P2
• Authors of publication: Stephanie Hurst
• Journal of publication: To be published in Tetrahedron Letters
• a: 8.0308 ± 0.0006 Å
• b: 10.9214 ± 0.0008 Å
• c: 13.6971 ± 0.001 Å
• α: 111.541 ± 0.002°
• β: 106.715 ± 0.002°
• γ: 92.889 ± 0.002°
• Cell volume: 1053.68 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: No
• Has disorder: No
• Has Fobs: No