Information card for entry 7156997

Structure parameters

• Formula: C15 H28 Cu0.5 N O7
• Calculated formula: C15 H28 Cu0.5 N O7
• Title of publication: Mild C-H functionalization of alkanes catalyzed by bioinspired copper(ii) cores.
• Authors of publication: Kirillova, Marina V.; Fernandes, Tiago A.; André, Vânia; Kirillov, Alexander M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 33
• Pages of publication: 7706 - 7714
• a: 10.1856 ± 0.0014 Å
• b: 16.187 ± 0.002 Å
• c: 11.0278 ± 0.0015 Å
• α: 90°
• β: 91.519 ± 0.005°
• γ: 90°
• Cell volume: 1817.6 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No