Information card for entry 4347307

Structure parameters

• Formula: C32 H30 Cr O4 P2
• Calculated formula: C32 H30 Cr O4 P2
• SMILES: [O]#C[Cr](C#[O])([P](C)(C)c1ccccc1c1ccccc1)([P](C)(C)c1ccccc1c1ccccc1)(C#[O])C#[O]
• Title of publication: Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands.
• Authors of publication: Kendall, Alexander J.; Zakharov, Lev N.; Tyler, David R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3079 - 3090
• a: 7.3216 ± 0.0003 Å
• b: 9.6435 ± 0.0004 Å
• c: 11.8158 ± 0.0004 Å
• α: 67.621 ± 0.002°
• β: 72.584 ± 0.002°
• γ: 76.173 ± 0.002°
• Cell volume: 728.64 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No