Information card for entry 7118602

Structure parameters

• Formula: C22 H22 N P
• Calculated formula: C22 H22 N P
• SMILES: P(c1ccc(cc1)C)(c1ccc(cc1)C)/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: 13.7817 ± 0.0011 Å
• b: 5.8294 ± 0.0004 Å
• c: 22.8279 ± 0.0017 Å
• α: 90°
• β: 97.672 ± 0.004°
• γ: 90°
• Cell volume: 1817.6 ± 0.2 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: 0.0762
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No