Information card for entry 7037064

Structure parameters

• Formula: C29 H22 B F10 N
• Calculated formula: C29 H22 B F10 N
• SMILES: [N]([B](C1=CC(C(C)C)c2ccccc12)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)#CC(C)(C)C
• 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: 10.3766 ± 0.0002 Å
• b: 17.8561 ± 0.0004 Å
• c: 15.0102 ± 0.0004 Å
• α: 90°
• β: 106.596 ± 0.001°
• γ: 90°
• Cell volume: 2665.32 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No