Information card for entry 4113088

Structure parameters

• Formula: C23 H18 Co O4 P
• Calculated formula: C23 H18 Co O4 P
• SMILES: [Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)C)(C#[O])(C#[O])C#[O]
• Title of publication: Mechanistic Studies of the Copolymerization Reaction of Aziridines and Carbon Monoxide to Produce Poly-β-peptoids
• Authors of publication: Donald J. Darensbourg; Andrea L. Phelps; Nathalie Le Gall; Li Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13808 - 13815
• a: 9.41 ± 0.03 Å
• b: 9.43 ± 0.03 Å
• c: 11.98 ± 0.03 Å
• α: 88.45 ± 0.05°
• β: 76.11 ± 0.05°
• γ: 84.76 ± 0.05°
• Cell volume: 1028 ± 5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No