Information card for entry 1568045

Structure parameters

• Formula: C51 H58 O5
• Calculated formula: C51 H58 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: 10.6821 ± 0.0002 Å
• b: 12.0842 ± 0.0001 Å
• c: 17.057 ± 0.0002 Å
• α: 93.142 ± 0.001°
• β: 105.229 ± 0.001°
• γ: 97.685 ± 0.001°
• Cell volume: 2096.06 ± 0.05 ų
• Cell temperature: 100.2 ± 0.5 K
• Ambient diffraction temperature: 100.2 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No