Information card for entry 4118358

Structure parameters

• Formula: C33 H30 P2
• Calculated formula: C33 H30 P2
• SMILES: P(c1ccccc1)(c1ccccc1)[C@H](c1ccc(cc1)C)CP(c1ccccc1)c1ccccc1
• Title of publication: Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex
• Authors of publication: Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11932 - 11935
• a: 10.2581 ± 0.0006 Å
• b: 11.9822 ± 0.0007 Å
• c: 22.0451 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2709.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No