Information card for entry 7111103

Structure parameters

• Formula: C18 H16 B2 F5 O P
• Calculated formula: C18 H16 B2 F5 O P
• Title of publication: Why are B2O2 rings rare?
• Authors of publication: Burke, Jacquelyn M.; Fox, Mark A.; Goeta, Andrés E.; Hughes, Andrew K.; Marder, Todd B.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2217
• a: 11.638 ± 0.003 Å
• b: 12.174 ± 0.003 Å
• c: 13.542 ± 0.003 Å
• α: 90°
• β: 93.688 ± 0.003°
• γ: 90°
• Cell volume: 1914.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No