Information card for entry 7106840

Structure parameters

• Formula: C27 H29 P
• Calculated formula: C27 H29 P
• SMILES: P(C#Cc1ccc(cc1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Phosphirenium-borate zwitterion: formation in the 1,1-carboboration reaction of phosphinylalkynes
• Authors of publication: Olga Ekkert; Gerald Kehr; Roland Frohlich; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10482
• a: 10.1751 ± 0.0005 Å
• b: 10.6783 ± 0.0004 Å
• c: 11.6493 ± 0.0007 Å
• α: 96.462 ± 0.002°
• β: 107.57 ± 0.004°
• γ: 109.165 ± 0.004°
• Cell volume: 1107.88 ± 0.11 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: 0.049
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No