Information card for entry 1569449

Structure parameters

• Formula: C115 H124 O24 S8 Tb4
• Calculated formula: C115 H124 O24 S8 Tb4
• Title of publication: Toroidal moment and dynamical control in luminescent 1D and 3D terbium calixarene compounds
• Authors of publication: Wang, Hao; Zhu, Zhenhua; La Droitte, Léo; Liao, Wuping; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 7208 - 7214
• a: 12.7641 ± 0.0004 Å
• b: 57.5684 ± 0.0016 Å
• c: 36.0789 ± 0.0011 Å
• α: 90°
• β: 94.785 ± 0.001°
• γ: 90°
• Cell volume: 26418.7 ± 1.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0643
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No