Information card for entry 4320412

Structure parameters

• Formula: C24 H29 P S
• Calculated formula: C24 H29 P S
• SMILES: [P@]1(=S)(C2=C(C(=C([C@@]2([C@@]2(C1=C(C(=C2C)C)C)C)C)C)C)C)c1ccccc1.[P@@]1(=S)(C2=C(C(=C([C@]2([C@]2(C1=C(C(=C2C)C)C)C)C)C)C)C)c1ccccc1
• Title of publication: Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties
• Authors of publication: Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5626 - 5635
• a: 16.0224 ± 0.0015 Å
• b: 7.3908 ± 0.0007 Å
• c: 19.1814 ± 0.0017 Å
• α: 90°
• β: 112.274 ± 0.002°
• γ: 90°
• Cell volume: 2101.9 ± 0.3 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No