Information card for entry 4120636

Structure parameters

• Formula: C22 H29 P
• Calculated formula: C22 H29 P
• SMILES: P(CCC=C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.
• Authors of publication: Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 8
• Pages of publication: 3293
• a: 11.3351 ± 0.0006 Å
• b: 11.4675 ± 0.0004 Å
• c: 17.6404 ± 0.0005 Å
• α: 87.588 ± 0.004°
• β: 77.145 ± 0.003°
• γ: 61.359 ± 0.003°
• Cell volume: 1956.39 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No