Information card for entry 7037148

Structure parameters

• Formula: C26 H33 P
• Calculated formula: C26 H33 P
• SMILES: P(/C=C/C1=CCCCC1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Unusual borane addition to conjugated dienylphosphanes under frustrated Lewis pair conditions.
• Authors of publication: Krupski, Sergei; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6111 - 6117
• a: 12.6725 ± 0.0003 Å
• b: 10.3622 ± 0.0003 Å
• c: 16.8729 ± 0.0005 Å
• α: 90°
• β: 99.97 ± 0.0013°
• γ: 90°
• Cell volume: 2182.2 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No