Information card for entry 7216924

Structure parameters

• Formula: C65 H86 N2 O7
• Calculated formula: C65 H82 N2 O7
• SMILES: n1c(COc2c3Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc2cc(c3)C(C)(C)C)c6OCCC)C(C)(C)C)c5OCc2nc(ccc2)CO)C(C)(C)C)c4OCCC)C(C)(C)C)cccc1CO.OC
• Title of publication: The synthesis of some pyridyl functionalized calix[4]arenes as the sensor molecule for silver ion-selective electrodes
• Authors of publication: Zeng, Xianshun; Weng, Linhong; Chen, Langxing; Leng, Xuebing; Ju, Hongfang; He, Xiwen; Zhang, Zheng-Zhi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 545
• a: 21.401 ± 0.017 Å
• b: 13.436 ± 0.01 Å
• c: 22.04 ± 0.018 Å
• α: 90°
• β: 95.396 ± 0.016°
• γ: 90°
• Cell volume: 6309 ± 9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.2765
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No