Information card for entry 4076586

Structure parameters

• Formula: C35 H35 B F15 P
• Calculated formula: C35 H35 B F15 P
• SMILES: [BH](C(=C\C1CC1)\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.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route
• Authors of publication: Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2445
• a: 9.9747 ± 0.0008 Å
• b: 12.246 ± 0.0013 Å
• c: 16.1369 ± 0.0017 Å
• α: 87.714 ± 0.012°
• β: 75.686 ± 0.009°
• γ: 72.078 ± 0.008°
• Cell volume: 1815.9 ± 0.3 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: 0.0806
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No