Information card for entry 7705537

Structure parameters

• Formula: C42 H8 B2 F30 O4
• Calculated formula: C42 H8 B2 F30 O4
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([O]=C1O[C@H](C(O[C@H]1C)=[O][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)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.
• Authors of publication: Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14378 - 14382
• a: 14.448 ± 0.0008 Å
• b: 14.6266 ± 0.0009 Å
• c: 18.8637 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3986.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No