Information card for entry 7154173

Structure parameters

• Formula: C38 H24 B Cl2 F10 P
• Calculated formula: C38 H24 B Cl2 F10 P
• Title of publication: 1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.
• Authors of publication: Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 764 - 769
• a: 16.2406 ± 0.0005 Å
• b: 10.2753 ± 0.0003 Å
• c: 21.4263 ± 0.0008 Å
• α: 90°
• β: 102.915 ± 0.002°
• γ: 90°
• Cell volume: 3485.1 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.137
• 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: Yes
• Has Fobs: No