Information card for entry 7204284

Structure parameters

• Formula: C63 H78 Cl2 O4 Se2
• Calculated formula: C63 H70 Cl2 O4 Se2
• Title of publication: Novel bis(phenylselenoalkoxy)calix[4]arene molecular tweezer receptors as sensors for ion-selective electrodes
• Authors of publication: Zeng, Xianshun; Leng, Xuebing; Chen, Langxing; Sun, Hao; Xu, Fengbo; Li, Qingshan; He, Xiwen; Zhang, Zheng-Zhi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 796
• a: 21.4021 ± 0.0018 Å
• b: 12.7375 ± 0.0011 Å
• c: 21.3752 ± 0.0018 Å
• α: 90°
• β: 90.207 ± 0.002°
• γ: 90°
• Cell volume: 5827 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No