Information card for entry 7110874

Structure parameters

• Formula: C182 H218 N10 O12
• Calculated formula: C182 H218 N10 O12
• SMILES: n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.Oc1c2cc(cc1Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)Cc1c(O)c(C2)cc(c1)C(C)(C)C)C(C)(C)C.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Using a large calixarene as a polyalkoxide ligand: tert-butylcalix[12]arene and its complex with the uranyl cation
• Authors of publication: Leverd, Pascal C.; Nierlich, Martine; Dumazet-Bonnamour, Isabelle; Lamartine, Roger
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 493
• a: 12.232 ± 0.002 Å
• b: 16.072 ± 0.003 Å
• c: 20.841 ± 0.004 Å
• α: 98.25 ± 0.03°
• β: 103.53 ± 0.03°
• γ: 91.77 ± 0.03°
• Cell volume: 3933.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3481
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections: 0.3373
• Weighted residual factors for significantly intense reflections: 0.2145
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for significantly intense reflections: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No