Information card for entry 4081751

Structure parameters

• Formula: C27 H23 B F10 N2
• Calculated formula: C27 H23 B F10 N2
• SMILES: [B]([n]1ccccc1)([C@@H]1[C@@H](N2CCCCC2)CCC1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[B]([n]1ccccc1)([C@H]1[C@H](N2CCCCC2)CCC1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry
• Authors of publication: Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6745
• a: 10.6415 ± 0.0002 Å
• b: 10.9495 ± 0.0007 Å
• c: 11.2153 ± 0.0007 Å
• α: 86.286 ± 0.003°
• β: 77.514 ± 0.003°
• γ: 87.659 ± 0.003°
• Cell volume: 1272.73 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No