Information card for entry 7132948

Structure parameters

• Formula: C163 H47 Cl4 N9 O6
• Calculated formula: C163 H47 Cl4 N9 O6
• Title of publication: A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.
• Authors of publication: Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 37
• Pages of publication: 4962 - 4965
• a: 26.5926 ± 0.0007 Å
• b: 32.943 ± 0.0007 Å
• c: 30.1206 ± 0.0012 Å
• α: 90°
• β: 113.007 ± 0.004°
• γ: 90°
• Cell volume: 24288 ± 1.5 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 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: 0.2002
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.2962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.395
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No