Information card for entry 7118600

Structure parameters

• Formula: C20 H18 N P
• Calculated formula: C20 H18 N P
• SMILES: P(c1ccccc1)(c1ccccc1)/C=C\c1ccc(cc1)N
• 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: 16.561 ± 0.006 Å
• b: 5.936 ± 0.002 Å
• c: 17.511 ± 0.006 Å
• α: 90°
• β: 111.673 ± 0.003°
• γ: 90°
• Cell volume: 1599.7 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No