Information card for entry 7156998

Structure parameters

• Formula: C23 H31 Cu N O6
• Calculated formula: C23 H31 Cu N O6
• 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: 10.6013 ± 0.0006 Å
• b: 25.155 ± 0.0013 Å
• c: 8.9311 ± 0.0004 Å
• α: 90°
• β: 109.342 ± 0.002°
• γ: 90°
• Cell volume: 2247.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1572
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No