Information card for entry 7249290

Structure parameters

• Formula: C54 H65 N2 O8
• Calculated formula: C54 H65 N2 O8
• Title of publication: Enantioselective electrosynthesis of inherently chiral calix[4]arenes via a cobalt-catalyzed aryl C–H acyloxylation
• Authors of publication: Zhang, Liming; Yang, Chen; Wang, Xinhai; Yang, Taixin; Yang, Dandan; Dou, Yingchao; Niu, Jun-Long
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 10232 - 10239
• a: 9.7335 ± 0.0002 Å
• b: 13.0898 ± 0.0004 Å
• c: 38.4467 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4898.5 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No