Information card for entry 7118603

Structure parameters

• Formula: C34 H33 N P2
• Calculated formula: C34 H33 N P2
• SMILES: P(c1ccccc1)(c1ccccc1)C(c1ccc(cc1)N)CP(c1ccc(cc1)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: 18.2866 ± 0.0007 Å
• b: 6.0518 ± 0.0002 Å
• c: 25.5425 ± 0.001 Å
• α: 90°
• β: 94.9633 ± 0.0017°
• γ: 90°
• Cell volume: 2816.11 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No