Information card for entry 1568046

Structure parameters

• Formula: C51 H56 O5
• Calculated formula: C51 H56 O5
• Title of publication: Inherently chiral calixarenes by a catalytic enantioselective desymmetrizing cross-dehydrogenative coupling.
• Authors of publication: Zhang, Xin; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 827 - 832
• a: 9.359 ± 0.0001 Å
• b: 12.7052 ± 0.0001 Å
• c: 18.7749 ± 0.0001 Å
• α: 80.266 ± 0.001°
• β: 79.829 ± 0.001°
• γ: 76.85 ± 0.001°
• Cell volume: 2120.34 ± 0.03 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No