Information card for entry 7714563

Structure parameters

• Formula: C47 H55 Cu0.922 N6 O5
• Calculated formula: C47 H55 Cu0.9227 N6 O5
• Title of publication: Crystal structure of a phenoxyl radical complex relevant to the metal site of the galactose oxidase enzyme: A facile one-pot synthesis, evidence for hydrogen atom transfer and DNA cleavage <i>via</i> self-activation.
• Authors of publication: Singh, Ovender; Singh, Anshu; Maji, Ankur; Chauhan, Rahul; Gupta, Puneet; Ghosh, Kaushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 986 - 995
• a: 24.281 ± 0.001 Å
• b: 11.9133 ± 0.0005 Å
• c: 18.146 ± 0.0008 Å
• α: 90°
• β: 103.321 ± 0.002°
• γ: 90°
• Cell volume: 5107.8 ± 0.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No