Information card for entry 7118607

Structure parameters

• Formula: C24 H29 Fe O P
• Calculated formula: C24 H29 Fe O P
• SMILES: [Fe]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])(C)[PH](c1ccccc1)c1ccccc1
• 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: 8.282 Å
• b: 9.8286 ± 0.0001 Å
• c: 14.5509 ± 0.0001 Å
• α: 74.635 ± 0.007°
• β: 73.74 ± 0.008°
• γ: 75.57 ± 0.007°
• Cell volume: 1076.66 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No