Information card for entry 1507233

Structure parameters

• Formula: C45 H12 B2 F26 O4
• Calculated formula: C45 H12 B2 F26 O4
• SMILES: c1(c(cc(cc1F)F)F)C1=[O][B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)OC(c2c(cc(cc2F)F)F)=[O][B](c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2F)F)F)F)F)O1.c1(ccccc1)C
• Title of publication: Catalytic Ring-Opening Polymerization of Propylene Oxide by Organoborane and Aluminum Lewis Acids
• Authors of publication: Chakraborty, Debashis; Rodriguez, Antonio; Chen, Eugene Y.-X.
• Journal of publication: Macromolecules
• Year of publication: 2003
• Journal volume: 36
• Journal issue: 15
• Pages of publication: 5470
• a: 13.424 ± 0.002 Å
• b: 26.445 ± 0.004 Å
• c: 12.5276 ± 0.0019 Å
• α: 90°
• β: 105.431 ± 0.003°
• γ: 90°
• Cell volume: 4287 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No