Information card for entry 7037071

Structure parameters

• Formula: C42 H39 B F10 Li N O
• Calculated formula: C42 H39 B F10 Li N O
• SMILES: [B@@]12([O]([Li]([NH]3C(CCCC3(C)C)(C)C)[F]c3c2c(c(c(c3F)F)F)F)C(=C(\C)c2ccccc2)\C2=C(c3c([C@H]12)cccc3)C(C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.
• Authors of publication: Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21032 - 21040
• a: 12.0328 ± 0.0004 Å
• b: 14.7766 ± 0.0005 Å
• c: 20.8614 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3709.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No