Information card for entry 7010928

Structure parameters

• Formula: C87 H138 F9 Lu N4 O24 S3
• Calculated formula: C87 H136 F9 Lu N4 O24 S3
• SMILES: [Lu]1234567([O](CCOc8c9cc(cc8Cc8c(OCC[O]2CC(=[O]3)N(CC)CC)c(cc(c8)C(C)(C)C)Cc2c(OCC[O]4CC(=[O]5)N(CC)CC)c(cc(c2)C(C)(C)C)Cc2c(OCC[O]6CC(=[O]7)N(CC)CC)c(cc(c2)C(C)(C)C)C9)C(C)(C)C)CC(=[O]1)N(CC)CC)[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC.O(CC)CC
• Title of publication: A p-tert-butylcalix[4]arene functionalised at its lower rim with ether-amide pendant arms acts as an inorganic‒organic receptor: structural and photophysical properties of its lanthanide complexes
• Authors of publication: Flor de Maria Ramírez; Loïc Charbonnière; Gilles Muller; Rosario Scopelliti; Jean-Claude G. Bünzli
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3205 - 3213
• a: 21.134 ± 0.004 Å
• b: 23.251 ± 0.005 Å
• c: 22.64 ± 0.005 Å
• α: 90°
• β: 106.71 ± 0.03°
• γ: 90°
• Cell volume: 10655 ± 4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• 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: 0.1542
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2974
• Weighted residual factors for all reflections included in the refinement: 0.3209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No