Information card for entry 4106251

Structure parameters

• Formula: C55 H34 B2 F30 N2 O2
• Calculated formula: C55 H34 B2 F30 N2 O2
• SMILES: [B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)[NH2][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[NH+]1(CCOCC1)Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O
• Title of publication: Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity
• Authors of publication: Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9069 - 9087
• a: 17.9641 ± 0.0019 Å
• b: 15.9684 ± 0.0015 Å
• c: 20.286 ± 0.002 Å
• α: 90°
• β: 104.115 ± 0.003°
• γ: 90°
• Cell volume: 5643.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No