Information card for entry 4113087

Structure parameters

• Common name: 03046
• Formula: C26 H24 Co O4 P
• Calculated formula: C26 H24 Co O4 P
• SMILES: [Co](C#[O])(C#[O])(C#[O])(C(=O)C)[P](c1ccccc1C)(c1ccccc1C)c1ccccc1C
• 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: 9.743 ± 0.002 Å
• b: 10.973 ± 0.002 Å
• c: 11.164 ± 0.002 Å
• α: 82.128 ± 0.003°
• β: 82.136 ± 0.003°
• γ: 83.161 ± 0.003°
• Cell volume: 1165 ± 0.4 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: 0.0436
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No