Information card for entry 7118599

Structure parameters

• Formula: C21 H19 P
• Calculated formula: C21 H19 P
• SMILES: P(c1ccccc1)(c1ccccc1)/C=C\c1ccc(cc1)C
• Title of publication: Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.
• Authors of publication: Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3163 - 3166
• a: 5.6674 ± 0.0019 Å
• b: 8.267 ± 0.003 Å
• c: 9.097 ± 0.003 Å
• α: 101.836 ± 0.008°
• β: 101.813 ± 0.006°
• γ: 92.712 ± 0.006°
• Cell volume: 406.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No