Information card for entry 4320411

Structure parameters

• Formula: C24 H29 P
• Calculated formula: C24 H29 P
• SMILES: P1(C2=C(C(=C([C@]2([C@]2(C1=C(C(=C2C)C)C)C)C)C)C)C)c1ccccc1.P1(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: 14.0432 ± 0.0013 Å
• b: 8.8035 ± 0.001 Å
• c: 16.4069 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2028.4 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No