Information card for entry 7705536

Structure parameters

• Formula: C21 H6 B F15 O
• Calculated formula: C21 H6 B F15 O
• SMILES: Fc1c([B]([O]=CCC)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)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: 11.5139 ± 0.0008 Å
• b: 9.2262 ± 0.0006 Å
• c: 19.1731 ± 0.0013 Å
• α: 90°
• β: 90.084 ± 0.003°
• γ: 90°
• Cell volume: 2036.7 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No